8-Chloro-3,4-dihydroquinazolin-4-one - CAS 101494-95-5

Catalog:	BB000520
Product Name:	8-Chloro-3,4-dihydroquinazolin-4-one
CAS:	101494-95-5
Synonyms:	8-chloro-3H-quinazolin-4-one; 8-chloro-3H-quinazolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	8-chloro-3H-quinazolin-4-one
Description:	8-Chloro-3,4-dihydroquinazolin-4-one (CAS# 101494-95-5) is a useful research chemical.
Molecular Weight:	180.59
Molecular Formula:	C8H5ClN2O
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)N=CNC2=O
InChI:	InChI=1S/C8H5ClN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)
InChI Key:	JWLJDRWZFALRKE-UHFFFAOYSA-N
LogP:	1.98880

Publication Number	Title	Priority Date
CN-107337646-A	A kind of method using methanol as Material synthesis Quinazol derivative	20160503
CN-107337646-B	Method for synthesizing quinazolinone derivative by using methanol as raw material	20160503
CA-2742023-A1	Polar quinazolines as liver x receptors ( lxrs ) modulators	20081119
EP-2367801-A1	Polar quinazolines as liver x receptors ( lxrs ) modulators	20081119
US-2010184786-A1	Polar Quinazolines	20081119

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

Quinazolines

[20028-72-2]
2-Amino-6-fluoroquinazoline
[20197-97-1]
2-Chloro-6-methoxyquinazolin-4(3H)-one
[177592-08-4]
Ethyl [(3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[333785-55-0]
3-(2-Furylmethyl)-2-mercaptoquinazolin-4(3H)-one
[60610-12-0]
6-Chloroquinazolin-2(1H)-one

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Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0090405
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.0090405
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3