Compound Identification
SMILES
COC1=C(OC)C=C2C(=CN(CC(C)C)C(=O)C2=C1)C(=O)N1CCN(C)CC1
InChIKey
InChIKey=LUSQNVAFAXBKAF-UHFFFAOYSA-N
Formula
C21H29N3O4
Mass
387.48
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
Pyridinecarboxylic acids and derivatives Anisoles Pyridinones N-methylpiperazines Alkyl aryl ethers Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Pyridinone - N-methylpiperazine - N-alkylpiperazine - Benzenoid - 1,4-diazinane - Piperazine - Pyridine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Lactam - Ether - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - 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