Compound Identification
SMILES
CCCCNC1=CC=CC2=CC(NC3=NC=C(N=C3)C#N)=NC=C12
InChIKey
InChIKey=LUMACINAMNBKRS-UHFFFAOYSA-N
Formula
C18H18N6
Mass
318.384
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
Secondary alkylarylamines Aminopyridines and derivatives Aminopyrazines Imidolactams Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Aminopyrazine - Aminopyridine - Secondary aliphatic/aromatic amine - Pyrazine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Nitrile - Carbonitrile - Secondary amine - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Cyanide - 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