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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H12ClFN4O
Molecular Weight 318.733
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N<sup>4</sup>-(3-Chloro-2-fluorophenyl)-7-methoxy-4,6-quinazolinediamine

SMILES

COC1=CC2=NC=NC(NC3=CC=CC(Cl)=C3F)=C2C=C1N

InChI

InChIKey=ZMVWTJDUTVHXPE-UHFFFAOYSA-N
InChI=1S/C15H12ClFN4O/c1-22-13-6-12-8(5-10(13)18)15(20-7-19-12)21-11-4-2-3-9(16)14(11)17/h2-7H,18H2,1H3,(H,19,20,21)

HIDE SMILES / InChI

Molecular Formula C15H12ClFN4O
Molecular Weight 318.733
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:45:55 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:55 GMT 2025
Record UNII
TQP849GZ2A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N<sup>4</sup>-(3-Chloro-2-fluorophenyl)-7-methoxy-4,6-quinazolinediamine
Systematic Name English
Dacomitinib Impurity 2F3LAJ
Preferred Name English
4,6-Quinazolinediamine, N<sup>4</sup>-(3-chloro-2-fluorophenyl)-7-methoxy-
Systematic Name English
Code System Code Type Description
CAS
1221892-23-4
Created by admin on Wed Apr 02 17:45:55 GMT 2025 , Edited by admin on Wed Apr 02 17:45:55 GMT 2025
PRIMARY
FDA UNII
TQP849GZ2A
Created by admin on Wed Apr 02 17:45:55 GMT 2025 , Edited by admin on Wed Apr 02 17:45:55 GMT 2025
PRIMARY
PUBCHEM
140723095
Created by admin on Wed Apr 02 17:45:55 GMT 2025 , Edited by admin on Wed Apr 02 17:45:55 GMT 2025
PRIMARY