AG00IDG1

848139-78-6 | 3-Quinolinecarbonitrile,6-amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-

AG00IDG1

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CAS Number	848139-78-6
Catalog Number	AG00IDG1(AGN-PC-0UU88H)
Chemical Name	3-Quinolinecarbonitrile,6-amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-
EC Number	810-025-6
IUPAC Name	6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile
InChI	InChI=1S/C24H20ClN5O2/c1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-11,13H,2,14,27H2,1H3,(H,29,30)
InChI Key	WRGKROVGVSWJMI-UHFFFAOYSA-N
MDL Number	MFCD12032114
Molecular Formula	C24H20ClN5O2
Molecular Weight	445.9009
SMILES	N#CC1=C(NC2=CC=C(OCC3=NC=CC=C3)C(Cl)=C2)C4=CC(N)=C(OCC)C=C4N=C1
Synonyms	848139-78-6, 6-amino-4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-ethoxyquinoline-3-carbonitrile, 6-amino-4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile, 6-amino-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-7-ethoxyquinoline-3-carbonitrile, AK171390, 6-amino-4-[3-chloro-4-(2-pyridylmethoxy)anilino]-7-ethoxy-quinoline-3-carbonitrile, 3-Quinolinecarbonitrile,6-amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-, 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile, WRGKROVGVSWJMI-UHFFFAOYSA-N, QUI129, SCHEMBL2130155, DTXSID90649528, BCP10862, CS-M0299, MFCD12032114, ZINC59278044, AKOS025149691, DS-7610, SB17735, KS-0000066N, AC-26218, SY060397, FT-0696495, MFCD12032114 (95%), 6-Amino-4-[(3-chloro-4-(2-pyridylmethoxy)phenyl)amino]-7-ethoxyquinoline-3-carbonitrile, 6-amino-4-[3-chloro-4-(2-pyridinylmethoxy)-anilino]-3-cyano-7-ethoxyquinoline, 6-Amino-4-{3-chloro-4-[(pyridin-2-yl)methoxy]anilino}-7-ethoxyquinoline-3-carbonitrile, 3-Quinolinecarbonitrile, 6-amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-, 4-(4-((2-pyridyl)methoxy)-3-chloroanilino)-6-amino-3-cyano-7-ethoxyquinoline;6-amino-4-(3-chloro-4-((2-pyridinyl)methoxy)anilino)-3-cyano-7-ethoxyquinoline, ACN-051677, EC 810-025-6, 6-amino-4-(3-chloro-4-(pyrid-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile, 6-Amino-4-[3-chloro-4-[(2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinoline,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	445.131g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	445.907g/mol
Monoisotopic Mass	445.131g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number