Compound Identification
SMILES
COC1=C(O)C=C(CN\C=C2/C(=O)NC(=O)C3=C2C=C(Cl)C=C3)C=C1
InChIKey
InChIKey=BRUYFWSHHYMOMJ-ZROIWOOFSA-N
Formula
C18H15ClN2O4
Mass
358.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Tetrahydroisoquinolines Methoxyphenols Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Aryl chlorides Vinylogous amides N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Enamines Dialkylamines Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Methoxyphenol - Tetrahydroisoquinoline - Phenoxy compound - Anisole - Methoxybenzene - Benzylamine - Phenol ether - Phenylmethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Phenol - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Carboxylic acid imide, n-unsubstituted - Carboxylic acid imide - Vinylogous amide - Dicarboximide - Carboxylic acid derivative - Azacycle - Ether - Secondary aliphatic amine - Enamine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available