Compound Identification
SMILES
BrC1=C(CNC2=CC=CC=C2C(=O)NC2=CC3=CC=CC=C3C=N2)C=CN=C1
InChIKey
InChIKey=VQINEUOBBUQFOD-UHFFFAOYSA-N
Formula
C22H17BrN4O
Mass
433.309
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
Aminobenzoic acids and derivatives Anthranilamides Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Secondary alkylarylamines Pyridines and derivatives Aryl bromides Imidolactams Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Anthranilamide - Isoquinoline - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Imidolactam - Benzenoid - Pyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - 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