Compound Identification
SMILES
COC1=CC2=C[NH+](CCOC3=C(O)C=C4CC[N+](C)=CC4=C3)CCC2=CC1=O
InChIKey
InChIKey=HFKNPKUPWUPJCQ-UHFFFAOYSA-P
Formula
C22H26N2O4
Mass
382.459
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
Dihydroisoquinolines P-quinomethanes Tetrahydropyridines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Dihydroisoquinoline - Quinomethane - P-quinomethane - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Cyclic ketone - Ketone - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic cation - 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