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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H16ClFN4O
Molecular Weight 394.829
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-

SMILES

NC1=CC2=C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)N=CN=C2C=C1

InChI

InChIKey=FBSYJUVNGAMMOK-UHFFFAOYSA-N
InChI=1S/C21H16ClFN4O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11,24H2,(H,25,26,27)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-
Systematic Name English
N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-4,6-QUINAZOLINEDIAMINE
Systematic Name English
ALLITINIB METABOLITE M6
Common Name English
N-(3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)QUINAZOLINE-4,6-DIAMINE
Systematic Name English
4-((3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)AMINO)-6-AMINOQUINAZOLINE
Systematic Name English
Code System Code Type Description
PUBCHEM
53630477
Created by admin on Sat Dec 16 16:54:31 GMT 2023 , Edited by admin on Sat Dec 16 16:54:31 GMT 2023
PRIMARY
CAS
845271-71-8
Created by admin on Sat Dec 16 16:54:31 GMT 2023 , Edited by admin on Sat Dec 16 16:54:31 GMT 2023
PRIMARY
FDA UNII
9XRF7KN4QK
Created by admin on Sat Dec 16 16:54:31 GMT 2023 , Edited by admin on Sat Dec 16 16:54:31 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ALLITINIB
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966