Compound Identification
SMILES
NCC1=NC=C(C([O-])=O)C2=CC=CC=C12
InChIKey
InChIKey=IJNRPVVZTJTBER-UHFFFAOYSA-M
Formula
C11H9N2O2
Mass
201.206
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
Pyridinecarboxylic acids 2-pyridylmethylamines Aralkylamines Benzenoids Heteroaromatic compounds Carboxylic acid salts Amino acids Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 2-pyridylmethylamine - Aralkylamine - Benzenoid - Pyridine - Heteroaromatic compound - Amino acid - Carboxylic acid salt - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Amine - 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