Compound Identification
SMILES
COC1=CC(=CC(OC)=C1)N1C(N)=C(C2=NC3=CC=CC=C3S2)C2=C(C=C(C=C2)N(O)[O-])C1=O
InChIKey
InChIKey=XMISELKJTDDTIJ-UHFFFAOYSA-N
Formula
C24H19N4O5S
Mass
475.5
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
Dimethoxybenzenes Benzothiazoles Methoxyanilines Phenoxy compounds Anisoles Pyridinones Alkyl aryl ethers Aminopyridines and derivatives Thiazoles Heteroaromatic compounds Lactams N-organohydroxylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Dimethoxybenzene - M-dimethoxybenzene - 1,3-benzothiazole - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyridine - Pyridinone - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azole - Thiazole - Lactam - Ether - N-organohydroxylamine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Amine - Organic anion - 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