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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16ClFN4O2
Molecular Weight 374.797
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N<sup>4</sup>-(3-chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine, (S)-

SMILES

NC1=CC2=C(NC3=CC(Cl)=C(F)C=C3)N=CN=C2C=C1O[C@H]4CCOC4

InChI

InChIKey=BIQABKFYKJRXII-NSHDSACASA-N
InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H16ClFN4O2
Molecular Weight 374.797
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:09:05 GMT 2025
Edited
by admin
on Mon Mar 31 23:09:05 GMT 2025
Record UNII
Q58L53U44Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N<sup>4</sup>-(3-chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine, (S)-
Systematic Name English
Afatinib metabolite M20
Preferred Name English
(S)-N<sup>4</sup>-(3-chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
Systematic Name English
(S)-N4-(3-CHLORO-4-FLUOROPHENYL)-7-((TETRAHYDROFURAN-3-YL)OXY)QUINAZOLINE-4,6-DIAMINE
Systematic Name English
4,6-Quinazolinediamine, N<sup>4</sup>-(3-chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-
Systematic Name English
Code System Code Type Description
CAS
314771-76-1
Created by admin on Mon Mar 31 23:09:05 GMT 2025 , Edited by admin on Mon Mar 31 23:09:05 GMT 2025
PRIMARY
FDA UNII
Q58L53U44Y
Created by admin on Mon Mar 31 23:09:05 GMT 2025 , Edited by admin on Mon Mar 31 23:09:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID10575638
Created by admin on Mon Mar 31 23:09:05 GMT 2025 , Edited by admin on Mon Mar 31 23:09:05 GMT 2025
PRIMARY
PUBCHEM
15606392
Created by admin on Mon Mar 31 23:09:05 GMT 2025 , Edited by admin on Mon Mar 31 23:09:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE