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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23ClFN5O3
Molecular Weight 483.9234
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

COc1cc2c(cc1N=C(/C(/[H])=C(\[H])/CN3CCCCC3=O)O)c(ncn2)Nc4ccc(c(c4)Cl)F

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

Molecular Formula C24H23ClFN5O3
Molecular Weight 483.9234
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:16:12 UTC 2021
Edited
by admin
on Sat Jun 26 04:16:12 UTC 2021
Record UNII
1Z192N44RY
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 04:16:12 UTC 2021 , Edited by admin on Sat Jun 26 04:16:12 UTC 2021
PRIMARY
FDA UNII
1Z192N44RY
Created by admin on Sat Jun 26 04:16:12 UTC 2021 , Edited by admin on Sat Jun 26 04:16:12 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL