Compound Identification
SMILES
NC1=C(C=C2N(C=C(C(O)=O)C(=O)C2=C1)C1=NC2=CC=CC=C2S1)N1CCN(CC1)C1=CC=CC=N1
InChIKey
InChIKey=NTTXSMXSDLRUCQ-UHFFFAOYSA-N
Formula
C26H22N6O3S
Mass
498.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Quinolines and derivatives
- Subclass Quinoline carboxylic acids
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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
Pyridinylpiperazines N-arylpiperazines Aminoquinolines and derivatives Hydroquinolones Hydroquinolines Benzothiazoles Pyridinecarboxylic acids Dialkylarylamines Aminopyridines and derivatives Imidolactams Benzenoids Thiazoles Heteroaromatic compounds Vinylogous amides Amino acids Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - Pyridinylpiperazine - N-arylpiperazine - Aminoquinoline - Dihydroquinolone - Dihydroquinoline - 1,3-benzothiazole - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Benzenoid - Thiazole - Heteroaromatic compound - Vinylogous amide - Azole - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary 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