U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C29H27ClN6O2
Molecular Weight 527.017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-6-[(1-methyl-2-pyrrolidinylidene)amino]-3-quinolinecarbonitrile

SMILES

CCOC1=CC2=C(C=C1N=C3CCCN3C)C(NC4=CC(Cl)=C(OCC5=CC=CC=N5)C=C4)=C(C=N2)C#N

InChI

InChIKey=GAMOOUJIKFTYIZ-AWQADKOQSA-N
InChI=1S/C29H27ClN6O2/c1-3-37-27-15-24-22(14-25(27)35-28-8-6-12-36(28)2)29(19(16-31)17-33-24)34-20-9-10-26(23(30)13-20)38-18-21-7-4-5-11-32-21/h4-5,7,9-11,13-15,17H,3,6,8,12,18H2,1-2H3,(H,33,34)/b35-28+

HIDE SMILES / InChI

Approval Year

Name Type Language
4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-6-[(1-methyl-2-pyrrolidinylidene)amino]-3-quinolinecarbonitrile
Systematic Name English
3-Quinolinecarbonitrile, 4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-6-[(1-methyl-2-pyrrolidinylidene)amino]-
Systematic Name English
Code System Code Type Description
CAS
1144516-21-1
Created by admin on Sat Dec 16 19:49:37 GMT 2023 , Edited by admin on Sat Dec 16 19:49:37 GMT 2023
PRIMARY
PUBCHEM
25268357
Created by admin on Sat Dec 16 19:49:37 GMT 2023 , Edited by admin on Sat Dec 16 19:49:37 GMT 2023
PRIMARY
FDA UNII
B4AUH4HK8D
Created by admin on Sat Dec 16 19:49:37 GMT 2023 , Edited by admin on Sat Dec 16 19:49:37 GMT 2023
PRIMARY