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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13ClFN3O3
Molecular Weight 361.755
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate

SMILES

COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OC(C)=O

InChI

InChIKey=ANGPUOTYQQFHKN-UHFFFAOYSA-N
InChI=1S/C17H13ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8H,1-2H3,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C17H13ClFN3O3
Molecular Weight 361.755
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 17:21:43 GMT 2025
Edited
by admin
on Wed Apr 02 17:21:43 GMT 2025
Record UNII
R3EQ3HZ35P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Acetoxy-4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazoline
Preferred Name English
4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate
Systematic Name English
6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, acetate (ester)
Systematic Name English
6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, 6-acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
21098396
Created by admin on Wed Apr 02 17:21:43 GMT 2025 , Edited by admin on Wed Apr 02 17:21:43 GMT 2025
PRIMARY
CAS
788136-89-0
Created by admin on Wed Apr 02 17:21:43 GMT 2025 , Edited by admin on Wed Apr 02 17:21:43 GMT 2025
PRIMARY
FDA UNII
R3EQ3HZ35P
Created by admin on Wed Apr 02 17:21:43 GMT 2025 , Edited by admin on Wed Apr 02 17:21:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID40610743
Created by admin on Wed Apr 02 17:21:43 GMT 2025 , Edited by admin on Wed Apr 02 17:21:43 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT