Compound Identification
SMILES
COC1=C(OC)C(N2C(=O)C3=CC=CC4=C(NCCCN)C=CC(C2=O)=C34)=C(C=C1)C#N
InChIKey
InChIKey=XQVRIPIPNHMQML-UHFFFAOYSA-N
Formula
C24H22N4O4
Mass
430.464
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Naphthalenes Dimethoxybenzenes Methoxyanilines Phenoxy compounds Benzonitriles Anisoles Secondary alkylarylamines Alkyl aryl ethers N-substituted carboxylic acid imides Amino acids and derivatives Nitriles Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - O-dimethoxybenzene - Dimethoxybenzene - Naphthalene - Methoxyaniline - Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Amino acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Secondary amine - Carbonitrile - Nitrile - Hydrocarbon derivative - Amine - Organic nitrogen compound - Primary amine - Organic oxide - Primary aliphatic amine - Organooxygen compound - Organic oxygen compound - Cyanide - 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