U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16ClFN4O3
Molecular Weight 402.807
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)formamide, (S)-

SMILES

FC1=CC=C(NC2=C3C=C(NC=O)C(O[C@H]4CCOC4)=CC3=NC=N2)C=C1Cl

InChI

InChIKey=ZBGVNMZERFYSES-LBPRGKRZSA-N
InChI=1S/C19H16ClFN4O3/c20-14-5-11(1-2-15(14)21)25-19-13-6-17(24-10-26)18(7-16(13)22-9-23-19)28-12-3-4-27-8-12/h1-2,5-7,9-10,12H,3-4,8H2,(H,24,26)(H,22,23,25)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H16ClFN4O3
Molecular Weight 402.807
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
KZQ2AK8THN
Record Status Validated (UNII)
Record Version