7-Hydroxy-6-methoxy-3H-quinazolin-4-one - CAS 162012-72-8

Catalog:	BB011816
Product Name:	7-Hydroxy-6-methoxy-3H-quinazolin-4-one
CAS:	162012-72-8
Synonyms:	7-hydroxy-6-methoxy-3H-quinazolin-4-one; 7-hydroxy-6-methoxy-3H-quinazolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	7-hydroxy-6-methoxy-3H-quinazolin-4-one
Description:	7-Hydroxy-6-methoxy-3H-quinazolin-4-one (CAS# 162012-72-8) is a potential 2-arylbenzothiazoles based kinase inhibitor.
Molecular Weight:	192.17
Molecular Formula:	C9H8N2O3
Canonical SMILES:	COC1=C(C=C2C(=C1)C(=O)NC=N2)O
InChI:	InChI=1S/C9H8N2O3/c1-14-8-2-5-6(3-7(8)12)10-4-11-9(5)13/h2-4,12H,1H3,(H,10,11,13)
InChI Key:	ZHLRYPLSYOYNQM-UHFFFAOYSA-N
LogP:	0.63730

Publication Number	Title	Priority Date
EP-3778586-A1	Quinazoline compound serving as egfr triple mutation inhibitor and applications thereof	20180413
CN-103923023-A	New method for performing microwave synthesis on gefitinib and derivative thereof	20140411
US-10398703-B2	Therapeutic compounds and uses thereof	20130215
US-2014235634-A1	Therapeutic compounds and uses thereof	20130215
US-2016235761-A1	Therapeutic compounds and uses thereof	20130215

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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:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.05349212
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	192.05349212
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3