6-Amino-4-[[3-chloro-4-(2-pyridyloxy)phenyl]amino]-7-ethoxyquinoline-3-carbonitrile - CAS 1956340-48-9

Catalog:	BB015148
Product Name:	6-Amino-4-[[3-chloro-4-(2-pyridyloxy)phenyl]amino]-7-ethoxyquinoline-3-carbonitrile
CAS:	1956340-48-9
Synonyms:	6-amino-4-[3-chloro-4-(2-pyridinyloxy)anilino]-7-ethoxy-3-quinolinecarbonitrile; 6-amino-4-(3-chloro-4-pyridin-2-yloxyanilino)-7-ethoxyquinoline-3-carbonitrile

Technical Data

IUPAC Name:	6-amino-4-(3-chloro-4-pyridin-2-yloxyanilino)-7-ethoxyquinoline-3-carbonitrile
Description:	6-Amino-4-[[3-chloro-4-(2-pyridyloxy)phenyl]amino]-7-ethoxyquinoline-3-carbonitrile (CAS# 1956340-48-9 ) is a useful research chemical.
Molecular Weight:	431.87
Molecular Formula:	C23H18ClN5O2
Canonical SMILES:	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OC4=CC=CC=N4)Cl)C#N)N
InChI:	InChI=1S/C23H18ClN5O2/c1-2-30-21-11-19-16(10-18(21)26)23(14(12-25)13-28-19)29-15-6-7-20(17(24)9-15)31-22-5-3-4-8-27-22/h3-11,13H,2,26H2,1H3,(H,28,29)
InChI Key:	BZMGKGQKSUYHAP-UHFFFAOYSA-N

Complexity:	630
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	431.1149025
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	431.1149025
Rotatable Bond Count:	6
Topological Polar Surface Area:	106
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1