Compound Identification
SMILES
OC(=O)C1=C2SC([NH+]2C2=CC([NH+]3CC[NH2+]CC3)=C(F)C=C2C1=O)C1=CC=CC=C1
InChIKey
InChIKey=PSWROMFBXASWNT-UHFFFAOYSA-Q
Formula
C21H21FN3O3S
Mass
414.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Quinolines and derivatives
- Subclass Quinoline carboxylic acids
-
Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline carboxylic acids
Alternative Parents
N-arylpiperazines Fluoroquinolones Aminoquinolines and derivatives Hydroquinolones Phenylthiazetidines Hydroquinolines Aryl ketones Vinylogous thioesters Aryl fluorides Benzene and substituted derivatives Quaternary ammonium salts Ketene acetals Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Organic oxides Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - N-arylpiperazine - Fluoroquinolone - Aminoquinoline - Dihydroquinolone - Quinolone - Dihydroquinoline - Phenyl-1,3-thiazetidine - Aryl ketone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperazine - Benzenoid - Vinylogous thioester - 1,4-diazinane - Quaternary ammonium salt - Ketone - Ketene acetal or derivatives - 1,3-thiazetidine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors
Not available