Compound Identification
SMILES
COc1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12
InChIKey
InChIKey=MGYPXUREAAPVPW-UHFFFAOYSA-N
Formula
C24H19Cl2N3O2
Mass
452.34
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
N-phenylureas Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - N-phenylurea - Anisole - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyridine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Urea - Carbonic acid derivative - Azacycle - Ether - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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