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Details

Stereochemistry ACHIRAL
Molecular Formula C15H12ClFN4O.ClH
Molecular Weight 355.194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

Cl.COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1N

InChI

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

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

Molecular Formula ClH
Molecular Weight 36.461
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 19:49:23 GMT 2025
Edited
by admin
on Wed Apr 02 19:49:23 GMT 2025
Record UNII
DV6STJ6ASQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,6-Quinazolinediamine, N4-(3-chloro-4-fluorophenyl)-7-methoxy-, hydrochloride (1:1)
Preferred Name English
N<sup>4</sup>-(3-Chloro-4-fluorophenyl)-7-methoxy-4,6-quinazolinediamine hydrochloride
Systematic Name English
Code System Code Type Description
CAS
1644484-89-8
Created by admin on Wed Apr 02 19:49:23 GMT 2025 , Edited by admin on Wed Apr 02 19:49:23 GMT 2025
PRIMARY
PUBCHEM
169490934
Created by admin on Wed Apr 02 19:49:24 GMT 2025 , Edited by admin on Wed Apr 02 19:49:24 GMT 2025
PRIMARY
FDA UNII
DV6STJ6ASQ
Created by admin on Wed Apr 02 19:49:24 GMT 2025 , Edited by admin on Wed Apr 02 19:49:24 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE