Compound Identification
SMILES
COC1=C(C=C(C=C1)S(C)=O)C1=NC2=C3C=NC(C)(C)C(=O)C3CC(=O)C2=N1
InChIKey
InChIKey=NMNPCBWUGZQWNE-UHFFFAOYSA-N
Formula
C20H19N3O4S
Mass
397.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
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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
Phenyl sulfoxides Phenoxy compounds Methoxybenzenes Anisoles Tetrahydropyridines Cyclohexenones Alkyl aryl ethers Imidazoles Sulfoxides Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Phenyl sulfoxide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Cyclohexenone - Tetrahydropyridine - Monocyclic benzene moiety - Benzenoid - Imidazole - Ketone - Sulfoxide - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl compound - Organic oxygen compound - Imine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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