Compound Identification
SMILES
OC(=O)C1=C2C=CC3=C(CCCC3)C2=NC(CC2=CC(Cl)=C(Cl)C=C2)=C1O
InChIKey
InChIKey=PWDCFUOLKCRMBT-UHFFFAOYSA-N
Formula
C21H17Cl2NO3
Mass
402.27
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
Tetralins Pyridinecarboxylic acids Dichlorobenzenes Hydroxypyridines Aryl chlorides Vinylogous acids Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-4-carboxylic acid - Tetralin - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1,2-dichlorobenzene - Hydroxypyridine - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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