Compound Identification
SMILES
CCOC(=C)CCCN1C(=O)C2=CC=CC3=C(NCCNC4=CC=C(OC)C=C4)C=CC(C1=O)=C23
InChIKey
InChIKey=RRDRBUGYMSBEAO-UHFFFAOYSA-N
Formula
C28H31N3O4
Mass
473.573
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
Naphthalenes Methoxyanilines Aminophenyl ethers Phenylalkylamines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers N-substituted carboxylic acid imides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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