Cas no 1251683-40-5 (N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide)

N-(2H-1,3-Benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide is a specialized cinnoline derivative with potential applications in medicinal chemistry and pharmaceutical research. Its structure incorporates a benzodioxole moiety, which may enhance binding affinity and metabolic stability, making it a candidate for drug development. The compound features a dihydrocinnoline core with a carboxamide linkage, offering versatility for further functionalization. Its rigid aromatic framework suggests potential utility as a scaffold for designing enzyme inhibitors or receptor modulators. The presence of both electron-rich and electron-deficient regions within the molecule may facilitate interactions with biological targets, warranting further investigation into its pharmacological properties.
N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide structure
1251683-40-5 structure
Product Name:N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide
CAS No:1251683-40-5
MF:C23H17N3O4
MW:399.398785352707
CID:6033835
PubChem ID:49666850
Update Time:2025-06-14

N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide Chemical and Physical Properties

Names and Identifiers

    • N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide
    • N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1-phenylcinnoline-3-carboxamide
    • N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide
    • F3406-9231
    • 1251683-40-5
    • N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide
    • VU0625455-1
    • AKOS021974356
    • N~3~-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1-phenyl-1,4-dihydro-3-cinnolinecarboxamide
    • Inchi: 1S/C23H17N3O4/c27-22-17-8-4-5-9-18(17)26(16-6-2-1-3-7-16)25-21(22)23(28)24-13-15-10-11-19-20(12-15)30-14-29-19/h1-12H,13-14H2,(H,24,28)
    • InChI Key: JFXWWOZOEMCVRK-UHFFFAOYSA-N
    • SMILES: N1(C2=CC=CC=C2)C2=C(C=CC=C2)C(=O)C(C(NCC2=CC=C3OCOC3=C2)=O)=N1

Computed Properties

  • Exact Mass: 399.12190603g/mol
  • Monoisotopic Mass: 399.12190603g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 690
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 80.2?2

N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide Pricemore >>

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Additional information on N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide

Comprehensive Analysis of N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide (CAS No. 1251683-40-5)

The compound N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide (CAS No. 1251683-40-5) is a structurally unique molecule that has garnered significant attention in pharmaceutical and biochemical research. Its complex name reflects its intricate chemical architecture, combining a benzodioxole moiety with a dihydrocinnoline core. This hybrid structure positions it as a promising candidate for various applications, particularly in drug discovery and development.

Researchers have shown growing interest in this compound due to its potential interactions with biological targets. The presence of the 4-oxo-1-phenyl-1,4-dihydrocinnoline scaffold suggests possible activity against enzymes or receptors involved in inflammatory pathways. Meanwhile, the benzodioxol-5-ylmethyl group may contribute to enhanced bioavailability, a critical factor in modern drug design. These features align with current trends in precision medicine, where molecular specificity is paramount.

In the context of recent scientific advancements, CAS 1251683-40-5 represents an interesting case study for computational chemistry approaches. The rise of AI-assisted molecular modeling has made compounds like this more accessible for virtual screening campaigns. Many researchers now search for "dihydrocinnoline derivatives in drug discovery" or "benzodioxole-containing bioactive molecules," reflecting the compound's relevance to cutting-edge pharmaceutical research.

The synthetic route to N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide typically involves multi-step organic transformations. Key steps often include the formation of the dihydrocinnoline ring system followed by amide coupling with the benzodioxole derivative. Such synthetic strategies are frequently discussed in forums focusing on "heterocyclic compound synthesis" and "challenging amide bond formation," indicating the compound's value as a synthetic chemistry benchmark.

From a pharmacological perspective, the 1,4-dihydrocinnoline-3-carboxamide portion of the molecule bears structural resemblance to known bioactive compounds. This has led to speculation about potential applications in addressing conditions related to oxidative stress or cellular signaling pathways. The scientific community continues to investigate whether this scaffold could contribute to treatments for age-related diseases, a hot topic in biomedical research.

Quality control and characterization of CAS 1251683-40-5 present unique analytical challenges. Advanced techniques such as HPLC-MS and NMR spectroscopy are typically employed to verify the compound's purity and confirm its structure. These aspects are particularly important for researchers searching for "characterization of complex heterocycles" or "analytical methods for benzodioxole compounds."

The stability profile of N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide under various conditions has become a subject of investigation. Understanding its degradation pathways is crucial for formulation development, a concern reflected in frequent searches for "heterocyclic compound stability" and "pharmaceutical excipient compatibility." These inquiries demonstrate the compound's potential transition from research chemical to drug candidate.

In the broader context of green chemistry, the synthesis of 1251683-40-5 raises questions about atom economy and waste minimization. Modern researchers increasingly search for "sustainable synthesis of complex molecules" and "catalytic approaches to heterocycle formation," indicating a shift toward environmentally conscious production methods for such specialized compounds.

The intellectual property landscape surrounding N-(2H-1,3-benzodioxol-5-yl)methyl-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide reflects its potential value. Patent databases show growing interest in this structural class, particularly for applications in specialized therapeutic areas. This aligns with search trends for "novel cinnoline patents" and "benzodioxole drug candidates," highlighting the competitive nature of pharmaceutical innovation.

As research into CAS 1251683-40-5 continues, its potential role in addressing unmet medical needs remains an open question. The compound's unique combination of structural features makes it a fascinating subject for both academic and industrial researchers, particularly those investigating "multi-target drug design" or "privileged structures in medicinal chemistry." Its future applications may well depend on ongoing investigations into its precise mechanism of action and therapeutic window.

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