Compound Identification
SMILES
C[C@@]12C[C@@H]3CC4=NC5=C(C=CC(Cl)=C5)C(N)=C4[C@@H](C1)[C@H]3N2
InChIKey
InChIKey=GRHPZPXUMGBOHN-DQKCKTRZSA-N
Formula
C17H18ClN3
Mass
299.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Epibatidine analogues
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Epibatidine analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Epibatidine analogues
Alternative Parents
Acridines Chloroquinolines 4-aminoquinolines Indoles and derivatives Aralkylamines Aminopyridines and derivatives Benzenoids Aryl chlorides Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acridine - Benzoquinoline - Epibatidine-skeleton - 4-aminoquinoline - Haloquinoline - Aminoquinoline - Chloroquinoline - Quinoline - Indole or derivatives - Aminopyridine - Aralkylamine - Pyridine - Benzenoid - Aryl chloride - Aryl halide - Pyrrolidine - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Primary amine - Amine - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as epibatidine analogues. These are compounds containing an epibatidine moiety, with a structure characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.
External Descriptors
Not available