Cas no 13961-64-3 (6-methyl-4-phenyl-1,2-dihydroquinazolin-2-one)

6-methyl-4-phenyl-1,2-dihydroquinazolin-2-one structure
13961-64-3 structure
Product Name:6-methyl-4-phenyl-1,2-dihydroquinazolin-2-one
CAS No:13961-64-3
MF:C15H12N2O
MW:236.268583297729
CID:171322
PubChem ID:63124
Update Time:2025-04-24

6-methyl-4-phenyl-1,2-dihydroquinazolin-2-one Chemical and Physical Properties

Names and Identifiers

    • 6-Methyl-4-phenylquinazolin-2(1H)-one
    • 6-methyl-4-phenyl-1H-quinazolin-2-one
    • 2(1H)-Quinazolinone, 6-methyl-4-phenyl-
    • 6-methyl-4-phenyl-1,2-dihydroquinazolin-2-one
    • EU-0066891
    • BRN 0194242
    • SR-01000397147
    • SCHEMBL11604874
    • Oprea1_754248
    • F0016-1218
    • Cambridge id 5849573
    • 6-Methyl-4-phenyl-2(1H)-quinazolinone
    • HMS1398L09
    • SCHEMBL24108918
    • 6-methyl-4-phenylquinazolin-2-ol
    • Cambridge id 5219044
    • DTXSID10161131
    • CHEMBL4060497
    • AKOS000636463
    • 5-24-04-00373 (Beilstein Handbook Reference)
    • Z56802360
    • Oprea1_291909
    • F0010-0478
    • ChemDiv2_000239
    • HMS1369K19
    • Enamine_001659
    • SR-01000397147-1
    • AKOS001586852
    • 13961-64-3
    • AB00075652-01
    • CS-0282045
    • STL559988
    • STK387395
    • Inchi: 1S/C15H12N2O/c1-10-7-8-13-12(9-10)14(17-15(18)16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
    • InChI Key: ULRSRGDZNASHQP-UHFFFAOYSA-N
    • SMILES: O=C1N=C(C2C=CC=CC=2)C2C=C(C)C=CC=2N1

Computed Properties

  • Exact Mass: 236.09506
  • Monoisotopic Mass: 236.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 358
  • 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: 2.4
  • Topological Polar Surface Area: 41.5A^2

Experimental Properties

  • Density: 1.21
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.648
  • PSA: 41.46

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6-methyl-4-phenyl-1,2-dihydroquinazolin-2-one Related Literature

Additional information on 6-methyl-4-phenyl-1,2-dihydroquinazolin-2-one

6-Methyl-4-phenylquinazolin-2(1H)-one: A Comprehensive Overview

The compound with CAS No. 13961-64-3, commonly referred to as 6-Methyl-4-phenylquinazolin-2(1H)-one, is a significant molecule in the field of organic chemistry and pharmacology. This quinazolinone derivative has garnered considerable attention due to its unique structural properties and potential applications in drug discovery. The quinazolinone core of this compound is a well-known scaffold in medicinal chemistry, often associated with various bioactive properties. Recent studies have further elucidated its role in inhibiting key enzymes and pathways involved in diseases such as cancer, inflammation, and neurodegenerative disorders.

The synthesis of 6-Methyl-4-phenylquinazolin-2(1H)-one involves a series of well-established organic reactions, including condensation and cyclization processes. Researchers have optimized these methods to achieve high yields and purity, ensuring the compound's reliability for further studies. The methyl and phenyl substituents attached to the quinazolinone ring play a crucial role in modulating the molecule's physicochemical properties, such as solubility and lipophilicity, which are critical for its pharmacokinetic profile.

Recent advancements in computational chemistry have allowed for a deeper understanding of the molecular interactions of 6-Methyl-4-phenylquinazolin-2(1H)-one. Through molecular docking studies, scientists have identified potential binding sites on target proteins, providing insights into its mechanism of action. For instance, the compound has shown promising activity as an inhibitor of kinases, which are pivotal in regulating cellular signaling pathways. This makes it a valuable lead compound for developing novel therapeutic agents.

In addition to its pharmacological significance, 6-Methyl-4-phenylquinazolin-2(1H)-one has also been explored for its potential in materials science. Its aromatic structure and conjugated system make it a candidate for applications in organic electronics and optoelectronics. Researchers are investigating its ability to act as a semiconductor material or a component in light-emitting diodes (LEDs), highlighting its versatility across multiple disciplines.

The growing interest in 6-Methyl-4-phenylquinazolin-2(1H)-one is further evidenced by its inclusion in various high-throughput screening libraries used in drug discovery. Its structural flexibility allows for easy modification, enabling researchers to explore a wide range of analogs with enhanced bioactivity or improved pharmacokinetic properties. This adaptability positions the compound as a cornerstone for future innovations in medicinal chemistry.

In conclusion, 6-Methyl-4-phenylquinazolin-2(1H)-one (CAS No. 13961-64-3) stands out as a multifaceted molecule with immense potential across diverse fields. Its unique chemical structure, coupled with recent breakthroughs in synthetic and computational methodologies, continues to unlock new avenues for research and application. As ongoing studies shed more light on its properties and mechanisms, this compound is poised to make significant contributions to both medicine and materials science.

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