Compound Identification
SMILES
CCCCCC(CC)C(C([O-])=O)C(=O)C1=CC2=CC=CC=C2C=N1
InChIKey
InChIKey=HPDPYCYUQHBEPD-UHFFFAOYSA-M
Formula
C20H24NO3
Mass
326.417
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Medium-chain keto acids and derivatives Aryl alkyl ketones Amino fatty acids Beta-keto acids and derivatives Heterocyclic fatty acids Methyl-branched fatty acids 1,3-dicarbonyl compounds Pyridines and derivatives Benzenoids Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Medium-chain keto acid - Aryl alkyl ketone - Aryl ketone - Amino fatty acid - Beta-keto acid - Branched fatty acid - Methyl-branched fatty acid - Heterocyclic fatty acid - Keto acid - Pyridine - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Heteroaromatic compound - Ketone - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available