Cas no 84548-18-5 (2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide)

2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide is a heterocyclic compound featuring a fused quinoline scaffold with a carboxamide functional group at the 3-position. Its unique structure, incorporating both a diketone and a saturated ring system, makes it a valuable intermediate in medicinal chemistry and pharmaceutical research. The compound exhibits potential reactivity at multiple sites, enabling further derivatization for the synthesis of biologically active molecules. Its rigid yet partially hydrogenated framework may contribute to enhanced stability and selectivity in target interactions. This scaffold is of particular interest in the development of enzyme inhibitors or receptor modulators due to its ability to mimic natural pharmacophores while offering tunable physicochemical properties.
2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide structure
84548-18-5 structure
Product Name:2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CAS No:84548-18-5
MF:C10H10N2O3
MW:206.198002338409
MDL:MFCD00454203
CID:1824502
PubChem ID:13005093
Update Time:2025-10-30

2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 3-Quinolinecarboxamide, 1,2,5,6,7,8-hexahydro-2,5-dioxo-
    • 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
    • 1,2,5,6,7,8-Hexahydro-2,5-dioxo-3-quinolinecarboxamide
    • 2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
    • 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
    • 3-carebamoyl-5,6,7,8-tetrahydroquinoline-2,5-dione
    • EN300-196152
    • DTXSID80514852
    • AKOS005662750
    • G42415
    • 84548-18-5
    • STK933079
    • 3-carbamoyl-5,6,7,8-tetrahydroquinoline-2,5-dione
    • STK871487
    • 2-hydroxy-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
    • AKOS002657951
    • CS-0077297
    • MDL: MFCD00454203
    • Inchi: 1S/C10H10N2O3/c11-9(14)6-4-5-7(12-10(6)15)2-1-3-8(5)13/h4H,1-3H2,(H2,11,14)(H,12,15)
    • InChI Key: CBYCFZZAGFYEDF-UHFFFAOYSA-N
    • SMILES: O=C1C2C=C(C(N)=O)C(NC=2CCC1)=O

Computed Properties

  • Exact Mass: 206.06900
  • Monoisotopic Mass: 206.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 432
  • 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: -0.3
  • Topological Polar Surface Area: 89.3?2

Experimental Properties

  • PSA: 93.28000
  • LogP: 1.10540

2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide Pricemore >>

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Additional information on 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

Comprehensive Analysis of 2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS No. 84548-18-5)

2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS No. 84548-18-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This heterocyclic molecule, featuring a quinoline backbone, is widely studied for its potential applications in drug discovery and development. Researchers are particularly interested in its structural properties, which make it a promising candidate for modulating biological pathways.

The compound's unique hexahydroquinoline core, combined with a carboxamide functional group, contributes to its versatility in synthetic chemistry. Recent studies highlight its role as a building block for designing novel small-molecule inhibitors, especially in targeting enzymes involved in inflammatory and metabolic disorders. Its dioxo groups further enhance its reactivity, enabling diverse derivatization strategies.

In the context of trending research topics, 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide aligns with the growing demand for precision medicine and targeted therapies. Scientists are exploring its potential in kinase inhibition, a hot topic in oncology and autoimmune disease research. Computational modeling studies suggest its affinity for specific protein-binding sites, making it a subject of interest in AI-driven drug design.

From an industrial perspective, the compound's synthesis and scalability are critical considerations. Advanced green chemistry methods, such as catalytic hydrogenation and solvent-free reactions, are being optimized to produce 84548-18-5 with high purity and yield. These innovations address the pharmaceutical industry's push toward sustainable manufacturing, a key concern among environmentally conscious stakeholders.

Analytical techniques like HPLC, NMR, and mass spectrometry are routinely employed to characterize 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide. Its stability under various pH conditions and thermal profiles are also under investigation, as these factors influence its formulation in drug delivery systems. Such data is vital for researchers querying "quaternary structure analysis" or "bioavailability enhancement" in search engines.

Beyond pharmaceuticals, this compound has potential applications in material science, particularly in designing organic semiconductors due to its conjugated system. Its electron-rich framework could contribute to advancements in flexible electronics, a rapidly growing field driven by wearable technology trends.

In summary, CAS No. 84548-18-5 represents a multifaceted compound with broad interdisciplinary relevance. Its exploration bridges gaps between medicinal chemistry, computational biology, and industrial process optimization, making it a compelling subject for both academic and commercial research initiatives.

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