Ethyl 4-Chloroquinazoline-6-carboxylate - CAS 155960-94-4

Catalog:	BB011184
Product Name:	Ethyl 4-Chloroquinazoline-6-carboxylate
CAS:	155960-94-4
Synonyms:	4-chloro-6-quinazolinecarboxylic acid ethyl ester; ethyl 4-chloroquinazoline-6-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-chloroquinazoline-6-carboxylate
Description:	Ethyl 4-Chloroquinazoline-6-carboxylate (CAS# 155960-94-4) is a useful research chemical.
Molecular Weight:	236.65
Molecular Formula:	C11H9ClN2O2
Canonical SMILES:	CCOC(=O)C1=CC2=C(C=C1)N=CN=C2Cl
InChI:	InChI=1S/C11H9ClN2O2/c1-2-16-11(15)7-3-4-9-8(5-7)10(12)14-6-13-9/h3-6H,2H2,1H3
InChI Key:	ADKCJHRCXSXELJ-UHFFFAOYSA-N
Boiling Point:	366.548 °C at 760 mmHg
Density:	1.342 g/cm³
LogP:	2.45990

Publication Number	Title	Priority Date
EP-2592083-A1	Fused quinazoline derivatives and uses thereof	20100521
WO-2011144059-A1	Fused quinazoline derivatives and uses thereof	20100521
EP-1782811-A1	Novel antimalaria agent containing heterocyclic compound	20040809
JP-WO2006016548-A1	Novel antimalarial agents containing heterocyclic compounds	20040809
US-2009227799-A1	Novel Antimalarial Agent Containing Heterocyclic Compound	20040809

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Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.0352552
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.0352552
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7