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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23ClFN5O3
Molecular Weight 483.923
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)-4-(2-OXO-1-PIPERIDYL)BUT-2-ENAMIDE

SMILES

COC1=C(NC(=O)\C=C\CN2CCCCC2=O)C=C3C(NC4=CC=C(F)C(Cl)=C4)=NC=NC3=C1

InChI

InChIKey=RFUDSLVKYOYDIG-SNAWJCMRSA-N
InChI=1S/C24H23ClFN5O3/c1-34-21-13-19-16(24(28-14-27-19)29-15-7-8-18(26)17(25)11-15)12-20(21)30-22(32)5-4-10-31-9-3-2-6-23(31)33/h4-5,7-8,11-14H,2-3,6,9-10H2,1H3,(H,30,32)(H,27,28,29)/b5-4+

HIDE SMILES / InChI

Approval Year

Name Type Language
N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)-4-(2-OXO-1-PIPERIDYL)BUT-2-ENAMIDE
Systematic Name English
(E)-N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)-4-(2-OXOPIPERIDIN-1-YL)BUT-2-ENAMIDE
Systematic Name English
(E)-N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)-4-(2-OXO-1-PIPERIDYL)BUT-2-ENAMIDE
Systematic Name English
DACOMITINIB METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
118796529
Created by admin on Sat Dec 16 10:04:10 GMT 2023 , Edited by admin on Sat Dec 16 10:04:10 GMT 2023
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FDA UNII
1Z192N44RY
Created by admin on Sat Dec 16 10:04:10 GMT 2023 , Edited by admin on Sat Dec 16 10:04:10 GMT 2023
PRIMARY