Compound Identification
SMILES
CC1SC2C(C(O)=O)C(=O)C3=CC(F)=C(C=C3N12)N1CCN(CC2=C(C)OC(=O)O2)CC1
InChIKey
InChIKey=FDVXVWGZQHURLL-UHFFFAOYSA-N
Formula
C21H22FN3O6S
Mass
463.48
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 Hydroquinolines Aryl alkyl ketones Dialkylarylamines Aralkylamines N-alkylpiperazines 1,3-dicarbonyl compounds Aryl fluorides Benzenoids Carbonic acid diesters Vinylogous amides Heteroaromatic compounds Thiazetidines Trialkylamines Amino acids Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Tetrahydroquinolone - Quinolone - Tetrahydroquinoline - Dialkylarylamine - Aryl ketone - Aryl alkyl ketone - N-alkylpiperazine - Aralkylamine - Piperazine - 1,4-diazinane - Carbonic acid diester - 1,3-dicarbonyl compound - Aryl halide - Benzenoid - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Ketone - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Tertiary amine - 1,3-thiazetidine - Oxacycle - Azacycle - Dialkylthioether - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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