Compound Identification
SMILES
CCCOC(=O)C1=C(Cl)C=CC(=C1)N1C(=O)C2=CC=CC3=CC(Br)=CC(C1=O)=C23
InChIKey
InChIKey=QGKPISXDIMIVNN-UHFFFAOYSA-N
Formula
C22H15BrClNO4
Mass
472.72
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
2-halobenzoic acids and derivatives Benzoic acid esters Naphthalenes Benzoyl derivatives Chlorobenzenes Aryl bromides Aryl chlorides N-substituted carboxylic acid imides Vinylogous halides Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Benzoate ester - Naphthalene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Aryl bromide - Carboxylic acid imide, n-substituted - Vinylogous halide - Carboxylic acid imide - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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