Compound Identification
SMILES
CC1=C(NC(=O)NC2=CC(Cl)=CC=C2)N=C(Br)C2=CC=CC=C12
InChIKey
InChIKey=KBECGSDLBPVVFY-UHFFFAOYSA-N
Formula
C17H13BrClN3O
Mass
390.67
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 2-halopyridines Chlorobenzenes Methylpyridines Aryl bromides Aryl chlorides Imidolactams Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - N-phenylurea - 2-halopyridine - Methylpyridine - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Carbonic acid derivative - Urea - Azacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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