2-Methyl-4-quinazolinone - CAS 1769-24-0
Catalog: |
BB013258 |
Product Name: |
2-Methyl-4-quinazolinone |
CAS: |
1769-24-0 |
Synonyms: |
4(3H)-Quinazolinone, 2-methyl-; 2-Methyl-4(3H)-quinazolinone; 4(1H)-Quinazolinone, 2-methyl-; 4-Quinazolinol, 2-methyl-; 2-Methyl-3,4-dihydroquinazolin-4-one; 2-Methyl-3H-quinazolin-4-one; 2-Methyl-4(3H)-quinazolone; 2-Methyl-4-oxoquinazoline; 2-Methyl-4-quinazolinol; 2-Methyl-4-quinazolone; 2-Methylquinazolone; 3H-2-Methyl-4-oxoquinazoline; 4-Hydroxy-2-methylquinazoline; NSC 12005; NSC 2757 |
Related CAS: | 5324-99-2 (Deleted CAS)
|
IUPAC Name: | 2-methyl-1H-quinazolin-4-one |
Description: | 2-Methyl-4(3H)-quinazolinone is a potent competitive poly(ADP-ribose) synthetase inhibitor, with a Ki of 1.1 μM. |
Molecular Weight: | 160.17 |
Molecular Formula: | C9H8N2O |
Canonical SMILES: | CC1=NC2=CC=CC=C2C(=O)N1 |
InChI: | InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12) |
InChI Key: | FIEYHAAMDAPVCH-UHFFFAOYSA-N |
Boiling Point: | 305.4±25.0°C at 760 mmHg |
Melting Point: | 239-241°C |
Purity: | ≥95% |
Density: | 1.26±0.1 g/cm3 |
Appearance: | White powder |
Storage: | Store at RT |
MDL: | MFCD00006887 |
LogP: | 1.23150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185468-A | Method for synthesizing quinazolinone through photocatalysis | 20210430 |
CN-113429390-A | Quinazoline derivatives and uses thereof | 20200323 |
CN-111363027-A | Hypnone antigen and preparation method thereof | 20200310 |
WO-2021113667-A1 | Sirtuin 6 protein deacylase (sirt6) activators | 20191206 |
US-2021115480-A1 | Engineered biocatalysts for the synthesis of gamma-hydroxy amino acids | 20191018 |
PMID | Publication Date | Title | Journal |
22365563 | 20120401 | Synthesis and SAR optimization of quinazolin-4(3H)-ones as poly(ADP-ribose)polymerase-1 inhibitors | European journal of medicinal chemistry |
21612927 | 20110701 | Antifungal quinazolinones from marine-derived Bacillus cereus and their preparation | Bioorganic & medicinal chemistry letters |
22247864 | 20100701 | Synthesis and anti-microbial screening of novel schiff bases of 3-amino-2-methyl quinazolin 4-(3H)-one | Journal of advanced pharmaceutical technology & research |
17142046 | 20070201 | Investigating biological activity spectrum for novel quinoline analogues | Bioorganic & medicinal chemistry |
15270566 | 20040701 | Quinazolin-4-one derivatives from Streptomyces isolates | Journal of natural products |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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