Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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