7-Chloro-3H-quinazolin-4-one - CAS 31374-18-2

Catalog:	BB020902
Product Name:	7-Chloro-3H-quinazolin-4-one
CAS:	31374-18-2
Synonyms:	7-chloro-3H-quinazolin-4-one; 7-chloro-3H-quinazolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	7-chloro-3H-quinazolin-4-one
Description:	7-Chloro-3H-quinazolin-4-one (CAS# 31374-18-2) is a useful research chemical.
Molecular Weight:	180.59
Molecular Formula:	C8H5ClN2O
Canonical SMILES:	C1=CC2=C(C=C1Cl)N=CNC2=O
InChI:	InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChI Key:	PMLONMIODRHERC-UHFFFAOYSA-N
Boiling Point:	331.7 °C at 760 mmHg
Density:	1.5 g/cm³
MDL:	MFCD00115130
LogP:	1.98880

Publication Number	Title	Priority Date
CN-113354591-A	Synthesis of alkylamino quinazoline and its antineoplastic activity	20210609
CN-111116552-A	Quinazolinone compound and preparation method thereof	20200117
CN-108484574-B	Preparation and application of tetrahydroisoquinoline derivative	20180412
US-10202357-B2	Class of quinolone heterocyclic aromatic molecules for cancer treatment	20161109
US-2018127383-A1	Novel class of quinolone heterocyclic aromatic molecules for cancer treatment	20161109

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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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