Compound Identification
SMILES
CN1CCN=C1C1=CC2=C(C=C1)C(=O)N(C(=O)C2)C1=C(F)C=C(NC(=O)NS(=O)(=O)C2=CC=CS2)C=C1
InChIKey
InChIKey=QKMCJDOJEMBWPC-UHFFFAOYSA-N
Formula
C24H20FN5O5S2
Mass
541.57
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 N-phenylureas Sulfonylureas Fluorobenzenes Aryl fluorides N-substituted carboxylic acid imides Imidolactams Thiophenes Aminosulfonyl compounds Organosulfonic acids and derivatives Dicarboximides Imidazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Organopnictogen compounds Carbonyl compounds Amines Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - N-phenylurea - Tetrahydroisoquinoline - Fluorobenzene - Halobenzene - Sulfonylurea - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - 2-imidazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Thiophene - Carboxylic acid amidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Amidine - Organofluoride - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Carbonyl group - 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