Compound Identification
SMILES
C[C@H]1Sc2c(C([O-])=O)c(=O)c3cc(F)c(cc3n12)N1CC[NH+](C[C@@H]2OC(=O)O[C@@H]2C)CC1
InChIKey
InChIKey=MUPUIERIDRFGTO-UVWXRNBGSA-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 Hydroquinolones Haloquinolines Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines N-alkylpiperazines Alkylarylthioethers Vinylogous thioesters Carbonic acid diesters Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds 1,3-dioxolanes Trialkylamines Carboxylic acid salts Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - N-arylpiperazine - Fluoroquinolone - Haloquinoline - Dihydroquinolone - Aminoquinoline - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl thioether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkylarylthioether - N-alkylpiperazine - Vinylogous thioester - Benzenoid - Pyridine - Piperazine - 1,4-diazinane - Carbonic acid diester - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Meta-dioxolane - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Carboxylic acid salt - Amino acid or derivatives - Oxacycle - Azacycle - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - 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