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Details

Stereochemistry RACEMIC
Molecular Formula C19H16ClFN4O3
Molecular Weight 402.807
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-5-hydroxy-2-pyrrolidinone

SMILES

COC1=CC2=C(C=C1N3C(O)CCC3=O)C(NC4=CC(Cl)=C(F)C=C4)=NC=N2

InChI

InChIKey=YYROAISCXBYHNT-UHFFFAOYSA-N
InChI=1S/C19H16ClFN4O3/c1-28-16-8-14-11(7-15(16)25-17(26)4-5-18(25)27)19(23-9-22-14)24-10-2-3-13(21)12(20)6-10/h2-3,6-9,17,26H,4-5H2,1H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C19H16ClFN4O3
Molecular Weight 402.807
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:50:13 GMT 2023
Edited
by admin
on Sat Dec 16 19:50:13 GMT 2023
Record UNII
DW2BBA7SHN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-5-hydroxy-2-pyrrolidinone
Systematic Name English
2-Pyrrolidinone, 1-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-5-hydroxy-
Systematic Name English
Des-(4-(1-piperidinyl)-2-Butenamide) Dacomitinib-5-hydroxypyrrolidin-2-one
Systematic Name English
Code System Code Type Description
PUBCHEM
155896510
Created by admin on Sat Dec 16 19:50:13 GMT 2023 , Edited by admin on Sat Dec 16 19:50:13 GMT 2023
PRIMARY
FDA UNII
DW2BBA7SHN
Created by admin on Sat Dec 16 19:50:13 GMT 2023 , Edited by admin on Sat Dec 16 19:50:13 GMT 2023
PRIMARY
CAS
2190490-31-2
Created by admin on Sat Dec 16 19:50:13 GMT 2023 , Edited by admin on Sat Dec 16 19:50:13 GMT 2023
PRIMARY