Compound Identification
SMILES
COC1=C(OC)C=C(CCNCCCN2C(=O)C3=C4N=C(NC4=C(N)C=C3C(C)(C)C2=O)C2=NC3=CC=CC=C3C=C2)C=C1
InChIKey
InChIKey=LXEKDIOBLUASGQ-UHFFFAOYSA-N
Formula
C34H36N6O4
Mass
592.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
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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 Quinolines and derivatives Dimethoxybenzenes Benzimidazoles Phenethylamines Anisoles Phenoxy compounds Alkyl aryl ethers Aralkylamines N-substituted carboxylic acid imides Pyridines and derivatives Imidazoles Heteroaromatic compounds Dicarboximides Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Quinoline - Tetrahydroisoquinoline - Dimethoxybenzene - O-dimethoxybenzene - Benzimidazole - Phenethylamine - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Benzenoid - Carboxylic acid imide, n-substituted - Pyridine - Monocyclic benzene moiety - Dicarboximide - Heteroaromatic compound - Imidazole - Azole - Carboxylic acid imide - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Ether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - 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