Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)[C@@H]1[C@H](C(O)=O)C2=CC=CC=C2C(=O)N1CCCCl
InChIKey
InChIKey=PORWWRQKDWMLQF-RTBURBONSA-N
Formula
C21H22ClNO5
Mass
403.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Tetrahydroisoquinolines Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Alkyl chlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - O-dimethoxybenzene - Dimethoxybenzene - Tetrahydroisoquinoline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organonitrogen compound - Hydrocarbon derivative - Alkyl chloride - Organohalogen compound - Organochloride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available