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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22FN3O3
Molecular Weight 359.3947
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-QUINOLINECARBOXYLIC ACID, 7-(3-AMINOHEXAHYDRO-1H-AZEPIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-, (R)-

SMILES

N[C@@H]1CCCCN(C1)C2=C(F)C=C3C(=O)C(=CN(C4CC4)C3=C2)C(O)=O

InChI

InChIKey=MNMPQDIVOLKXTL-LLVKDONJSA-N
InChI=1S/C19H22FN3O3/c20-15-7-13-16(8-17(15)22-6-2-1-3-11(21)9-22)23(12-4-5-12)10-14(18(13)24)19(25)26/h7-8,10-12H,1-6,9,21H2,(H,25,26)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H22FN3O3
Molecular Weight 359.3947
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 Sat Dec 16 15:16:24 GMT 2023
Edited
by admin
on Sat Dec 16 15:16:24 GMT 2023
Record UNII
25YXF8MF3T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-QUINOLINECARBOXYLIC ACID, 7-(3-AMINOHEXAHYDRO-1H-AZEPIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-, (R)-
Systematic Name English
7-((3R)-3-AMINOAZEPAN-1-YL)-1-CYCLOPROPYL-6-FLUORO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
25YXF8MF3T
Created by admin on Sat Dec 16 15:16:24 GMT 2023 , Edited by admin on Sat Dec 16 15:16:24 GMT 2023
PRIMARY
CAS
141388-69-4
Created by admin on Sat Dec 16 15:16:24 GMT 2023 , Edited by admin on Sat Dec 16 15:16:24 GMT 2023
PRIMARY
PUBCHEM
59180835
Created by admin on Sat Dec 16 15:16:24 GMT 2023 , Edited by admin on Sat Dec 16 15:16:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE