8-Methyl-3,4-dihydroquinazolin-4-one - CAS 19181-54-5

Catalog:	BB014844
Product Name:	8-Methyl-3,4-dihydroquinazolin-4-one
CAS:	19181-54-5
Synonyms:	8-methyl-3H-quinazolin-4-one; 8-methyl-3H-quinazolin-4-one

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Computed Properties

IUPAC Name:	8-methyl-3H-quinazolin-4-one
Description:	8-Methyl-3,4-dihydroquinazolin-4-one (CAS# 19181-54-5) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	CC1=CC=CC2=C1N=CNC2=O
InChI:	InChI=1S/C9H8N2O/c1-6-3-2-4-7-8(6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)
InChI Key:	GZRXSFZDLGKFLN-UHFFFAOYSA-N
Boiling Point:	305.5 °C at 760 mmHg
Density:	1.26 g/cm³
MDL:	MFCD01685945
LogP:	1.23150

Publication Number	Title	Priority Date
CN-111410678-A	Steroid compound, use and preparation method thereof	20190108
WO-2020143640-A1	Steroid compound, and use thereof and preparation method therefor	20190108
KR-20210113209-A	Steroid compounds, uses and methods of preparation thereof	20190108
CN-109293585-A	A method of halobenzamides rapid synthesis quinazolinones are utilized under microwave condition in water phase	20181122
CN-109293586-A	A method of halogen benzoic acid synthesizes quinazolinones under microwave condition in ammonium hydroxide	20181122

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

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

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GHS Hazard Statement:	H302 (50%): 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