2-Methyl-4-quinazolinone - CAS 1769-24-0

Name: 2-Methyl-4-quinazolinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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