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 ACHIRAL
Molecular Formula C20H20N2O3
Molecular Weight 336.3844
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(3-hydroxy-4-tert-butyl-phenyl)-4-oxo-1H-quinoline-3-carboxamide

SMILES

CC(C)(C)C1=C(O)C=C(NC(=O)C2=CNC3=C(C=CC=C3)C2=O)C=C1

InChI

InChIKey=RGXDSPVREBKZMQ-UHFFFAOYSA-N
InChI=1S/C20H20N2O3/c1-20(2,3)15-9-8-12(10-17(15)23)22-19(25)14-11-21-16-7-5-4-6-13(16)18(14)24/h4-11,23H,1-3H3,(H,21,24)(H,22,25)

HIDE SMILES / InChI

Molecular Formula C20H20N2O3
Molecular Weight 336.3844
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
LW2R39S68S
Record Status Validated (UNII)
Record Version