Compound Identification
SMILES
C[C@H]1SC2=C(C(O)=O)C(=O)C3=CC(F)=C(C=C3N12)N1CCN(CC2=C(C)OC(=O)O2)CC1
InChIKey
InChIKey=PWNMXPDKBYZCOO-LLVKDONJSA-N
Formula
C21H20FN3O6S
Mass
461.46
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
Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Alkylarylthioethers Aralkylamines N-alkylpiperazines Vinylogous thioesters Aryl fluorides Benzenoids Carbonic acid diesters Heteroaromatic compounds Vinylogous amides Trialkylamines Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Dihydroquinolone - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl thioether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - Aralkylamine - Alkylarylthioether - 1,4-diazinane - Piperazine - Carbonic acid diester - Pyridine - Aryl halide - Aryl fluoride - Benzenoid - Vinylogous thioester - Heteroaromatic compound - Vinylogous amide - Amino acid - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Oxacycle - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - 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