Compound Identification
SMILES
COC1=C(OC)C=C2C(=O)N(CCCC(=O)OCCN3CCOCC3)C=CC2=C1
InChIKey
InChIKey=XIOAMCJKCBEMPI-UHFFFAOYSA-N
Formula
C21H28N2O6
Mass
404.463
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
Anisoles Alkyl aryl ethers Pyridinones Fatty acid esters Morpholines Heteroaromatic compounds Lactams Trialkylamines Carboxylic acid esters Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Phenol ether - Anisole - Alkyl aryl ether - Pyridinone - Fatty acid ester - Morpholine - Oxazinane - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - 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