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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29ClFN5O2
Molecular Weight 497.992
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-(1-methylethoxy)-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide

SMILES

CC(C)OC1=CC2=C(C=C1NC(=O)\C=C\CN3CCCCC3)C(NC4=CC(Cl)=C(F)C=C4)=NC=N2

InChI

InChIKey=CVPYBKFJICOOOM-VOTSOKGWSA-N
InChI=1S/C26H29ClFN5O2/c1-17(2)35-24-15-22-19(26(30-16-29-22)31-18-8-9-21(28)20(27)13-18)14-23(24)32-25(34)7-6-12-33-10-4-3-5-11-33/h6-9,13-17H,3-5,10-12H2,1-2H3,(H,32,34)(H,29,30,31)/b7-6+

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-(1-methylethoxy)-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
Systematic Name English
Dacomitinib Impurity D
Common Name English
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-(1-methylethoxy)-6-quinazolinyl]-4-(1-piperidinyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
34BGB4ZY5F
Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023
PRIMARY
CAS
869199-67-7
Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023
PRIMARY
PUBCHEM
66584196
Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023
PRIMARY