Compound Identification
SMILES
COC(=O)\C=C/C1=CC2=C(C3=C(C=C2)N=C(NC2=C(Cl)C=CC=C2Cl)N3C)C(=O)N1
InChIKey
InChIKey=NBOQJXUICDCFTQ-CLFYSBASSA-N
Formula
C21H16Cl2N4O3
Mass
443.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
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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
Benzimidazoles Aniline and substituted anilines Dichlorobenzenes Pyridinones Fatty acid esters Aminoimidazoles Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Enoate esters Methyl esters Vinylogous amides Lactams Amino acids and derivatives Secondary amines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Benzimidazole - Aniline or substituted anilines - 1,3-dichlorobenzene - Chlorobenzene - Fatty acid ester - Halobenzene - Pyridinone - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - N-substituted imidazole - Pyridine - Azole - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Imidazole - Methyl ester - Lactam - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Organohalogen compound - Organochloride - Organonitrogen 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