Compound Identification
SMILES
CNC1=C(Cl)C=C2C(CC(=O)N(C2=O)C2=NC=C(NC(=O)NS(=O)(=O)C3=CC=C(F)S3)C=C2)=C1
InChIKey
InChIKey=JNFIDSPVEFGUHU-UHFFFAOYSA-N
Formula
C20H15ClFN5O5S2
Mass
523.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Tetrahydroisoquinolines Sulfonylureas Secondary alkylarylamines 2,5-disubstituted thiophenes Pyridines and derivatives Aryl chlorides N-substituted carboxylic acid imides Imidolactams Aryl fluorides Benzenoids Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Dicarboximides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - 2,5-disubstituted thiophene - Secondary aliphatic/aromatic amine - Sulfonylurea - Aryl chloride - Aryl fluoride - Aryl halide - Carboxylic acid imide, n-substituted - Pyridine - Imidolactam - Benzenoid - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Carbonyl group - Organohalogen compound - Organochloride - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organofluoride - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available