Compound Identification
SMILES
COCC1=C(SC(CC[C@@H](N)CC2=CN=C(C)C=C2)=N1)C1=CC2=CC(F)=NC=C2C=C1
InChIKey
InChIKey=AYNUBBPSQMYEAK-HXUWFJFHSA-N
Formula
C24H25FN4OS
Mass
436.55
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
2,4,5-trisubstituted thiazoles Methylpyridines Aralkylamines 2-halopyridines Benzenoids Aryl fluorides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - 2,4,5-trisubstituted 1,3-thiazole - 2-halopyridine - Methylpyridine - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azole - Thiazole - Azacycle - Dialkyl ether - Ether - Organohalogen compound - Primary aliphatic amine - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - 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