6-Methylquinazolin-4(1H)-one - CAS 19181-53-4

Catalog:	BB014843
Product Name:	6-Methylquinazolin-4(1H)-one
CAS:	19181-53-4
Synonyms:	6-methyl-3H-quinazolin-4-one; 6-methyl-3H-quinazolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	6-methyl-3H-quinazolin-4-one
Description:	6-Methylquinazolin-4(1H)-one (CAS# 19181-53-4) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	CC1=CC2=C(C=C1)N=CNC2=O
InChI:	InChI=1S/C9H8N2O/c1-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-5H,1H3,(H,10,11,12)
InChI Key:	JUCDXPIFJIVICL-UHFFFAOYSA-N
Boiling Point:	334.6 °C at 760 mmHg
Density:	1.26 g/cm³
LogP:	1.64380

Publication Number	Title	Priority Date
CN-111116552-A	Quinazolinone compound and preparation method thereof	20200117
WO-2020069418-A1	Small molecule inhibitors of dyrk1/clk and uses thereof	20180928
KR-102063286-B1	Novel Hydroxamic Acid Incorporating Quinazolin-4(3H)-ones as Histone Deacetylase Inhibitors and Anticancer Composition Comprising the Same	20180525
KR-20190134180-A	Novel Hydroxamic Acid Incorporating Quinazolin-4(3H)-ones as Histone Deacetylase Inhibitors and Anticancer Composition Comprising the Same	20180525
WO-2019170543-A1	Identification and use of erk5 inhibitors	20180307

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

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

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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

Complexity:	225
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:	1.1