Cas no 3476-68-4 (1-methylquinazolin-4(1H)-one)

1-Methylquinazolin-4(1H)-one is a heterocyclic organic compound featuring a quinazolinone core with a methyl substitution at the nitrogen-1 position. This structure imparts unique reactivity and stability, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its rigid fused-ring system enhances binding affinity in medicinal chemistry applications, particularly in the development of kinase inhibitors and antimicrobial agents. The compound exhibits favorable solubility in common organic solvents, facilitating its use in diverse synthetic pathways. Its well-defined chemical properties and high purity make it suitable for research and industrial applications requiring precise molecular scaffolds.
1-methylquinazolin-4(1H)-one structure
1-methylquinazolin-4(1H)-one structure
Product Name:1-methylquinazolin-4(1H)-one
CAS No:3476-68-4
MF:C9H8N2O
MW:160.17262172699
MDL:MFCD01685943
CID:919502
PubChem ID:18992
Update Time:2025-10-29

1-methylquinazolin-4(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 1-methylquinazolin-4(1H)-one
    • 1-methylquinazolin-4-one
    • 1-Methyl-1H-chinazolin-4-on
    • 1-methyl-1H-quinazolin-4-one
    • 1-Methyl-4(1H)-chinazolinon (Glycorin)
    • 1-Methyl-4(1H)-quinazolinone
    • 1-Methyl-4-quinazolone
    • 1-methylquinazoline-4-one
    • 4(1H)-QUINAZOLINONE, 1-METHYL-
    • AC1L2D8F
    • BRN 0127680
    • Glycorine
    • NSC94558
    • SureCN1304538
    • AS-49991
    • UNII-GHK8W83JM1
    • KSC-321-040
    • MFCD01685943
    • AKOS006373184
    • SCHEMBL1304538
    • NSC 94558
    • 1-methyl-1,4-dihydroquinazolin-4-one
    • KUC112567N
    • QAXCWBIVFCEYGG-UHFFFAOYSA-N
    • GHK8W83JM1
    • O10431
    • NSC-94558
    • DTXSID00188312
    • Glycorin
    • 3476-68-4
    • 5-24-03-00048 (Beilstein Handbook Reference)
    • 1-Methyl-4(1H)-quinazolinone, AldrichCPR
    • DS-003098
    • quinazoline, 1,4-dihydro-1-methyl-4-oxo-
    • AC-907/34120056
    • DTXCID30110803
    • MDL: MFCD01685943
    • Inchi: 1S/C9H8N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6H,1H3
    • InChI Key: QAXCWBIVFCEYGG-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2N(C=N1)C

Computed Properties

  • Exact Mass: 160.06374
  • Monoisotopic Mass: 160.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 225
  • 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
  • Topological Polar Surface Area: 32.7A^2
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.21
  • Boiling Point: 296.8°C at 760 mmHg
  • Flash Point: 133.3°C
  • Refractive Index: 1.622
  • PSA: 32.67
  • LogP: 0.93350

1-methylquinazolin-4(1H)-one Pricemore >>

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Additional information on 1-methylquinazolin-4(1H)-one

1-Methylquinazolin-4(1H)-one (CAS No. 3476-68-4): A Comprehensive Overview

1-Methylquinazolin-4(1H)-one, also known by its CAS registry number 3476-68-4, is a heterocyclic compound belonging to the quinazoline family. This compound has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science due to its unique structural properties and potential applications. The molecule consists of a quinazoline ring system with a methyl group attached at the 1-position and a ketone group at the 4-position, making it a versatile building block for various chemical transformations.

The synthesis of 1-methylquinazolin-4(1H)-one has been extensively studied, with researchers exploring various methodologies to optimize its production. One of the most common approaches involves the condensation of o-phenylenediamine derivatives with carbonyl compounds under specific reaction conditions. Recent advancements in catalytic systems and green chemistry have further enhanced the efficiency and sustainability of these synthetic routes. For instance, the use of microwave-assisted synthesis has been reported to significantly reduce reaction times while maintaining high yields.

From a biological standpoint, 1-methylquinazolin-4(1H)-one has demonstrated promising pharmacological properties. Studies have shown that this compound exhibits anti-inflammatory, antioxidant, and cytotoxic activities, making it a potential candidate for drug development. In particular, its ability to inhibit certain enzymes associated with inflammatory pathways has been extensively investigated. Researchers have also explored its role as a scaffold for designing more potent bioactive molecules through structural modifications.

In addition to its biological applications, 1-methylquinazolin-4(1H)-one has found utility in materials science. Its aromatic ring system and conjugated π-electron structure make it an attractive candidate for applications in organic electronics. Recent studies have focused on incorporating this compound into organic light-emitting diodes (OLEDs) and photovoltaic devices, where it has shown potential as an electron transport layer material. The compound's stability under thermal and photochemical conditions further enhances its suitability for such applications.

Despite its numerous advantages, the commercialization of 1-methylquinazolin-4(1H)-one faces challenges related to scalability and cost-effectiveness. Efforts are underway to develop large-scale synthesis methods that can meet the demands of both academic research and industrial applications. Collaborative efforts between chemists, engineers, and material scientists are expected to address these challenges in the near future.

In conclusion, 1-methylquinazolin-4(1H)-one (CAS No. 3476-68-4) stands as a testament to the versatility of heterocyclic compounds in modern chemistry. With ongoing research uncovering new synthetic routes, biological activities, and materials applications, this compound continues to be a focal point for innovation across multiple disciplines.

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