4-Chloro-5,7-difluoroquinazoline - CAS 791602-75-0

Catalog:	BB036301
Product Name:	4-Chloro-5,7-difluoroquinazoline
CAS:	791602-75-0
Synonyms:	4-chloro-5,7-difluoroquinazoline; 4-chloro-5,7-difluoroquinazoline

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-5,7-difluoroquinazoline
Description:	4-Chloro-5,7-difluoroquinazoline (CAS# 791602-75-0) is used in the preparation of (anilino)quinazoline derivative as EGFR tyrosine kinase inhibitor for the treatment of cancer.
Molecular Weight:	200.57
Molecular Formula:	C8H3ClF2N2
Canonical SMILES:	C1=C(C=C2C(=C1F)C(=NC=N2)Cl)F
InChI:	InChI=1S/C8H3ClF2N2/c9-8-7-5(11)1-4(10)2-6(7)12-3-13-8/h1-3H
InChI Key:	GYHQPNLHJJSYSN-UHFFFAOYSA-N
LogP:	2.56140

Publication Number	Title	Priority Date
AU-2005315458-A1	Process for the preparation of 4-(6-chloro-2, 3-methylenedioxyanilino)-7-(2-(4-methylpiperazin-1-yl) ethoxy)-5-tetrahydropyran-4-yloxyquinazoline, their intermediates and crystalline salts thereof	20041217
AU-2005315458-B2	Process for the preparation of 4-(6-chloro-2, 3-methylenedioxyanilino)-7-(2-(4-methylpiperazin-1-yl) ethoxy)-5-tetrahydropyran-4-yloxyquinazoline, their intermediates and crystalline salts thereof	20041217
AU-2009200622-A1	Process for the preparation of 4-(6-chloro-2, 3-methylenedioxyanilino)-7-(2-(4-methylpiperazin-1-yl) ethoxy)-5-tetrahydropyran-4-yloxyquinazoline, their intermediates and crystalline salts thereof	20041217
CA-2590735-C	Process for the preparation of 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl) ethoxy}-5-tetrahydropyran-4-yloxyquinazoline, their intermediates and crystalline salts thereof	20041217
CA-2675642-A1	Process for the preparation of 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methyl piperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline, their intermediates and crystalline salts thereof	20041217

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.9952821
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.9952821
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7