Compound Identification
SMILES
OC(=O)C(F)(F)F.C[C@H](NC1=C2N=CSC2=NC=N1)C1=CC2=C(C(=O)N1C1=CC=CC=C1)C(=CC=C2)C1=CC(CN)=CC=C1
InChIKey
InChIKey=SQSKGGSPNMGWKO-FERBBOLQSA-N
Formula
C31H25F3N6O3S
Mass
618.64
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
1,3-thiazolo[5,4-d]pyrimidines Phenylmethylamines Benzylamines Pyridinones Aminopyrimidines and derivatives Aralkylamines Imidolactams Thiazoles Alpha-halocarboxylic acids Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Not available
Substituents
Isoquinolone - 1,3-thiazolo[5,4-d]pyrimidine - Benzylamine - Phenylmethylamine - Aminopyrimidine - Pyridinone - Aralkylamine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Thiazole - Alpha-halocarboxylic acid - Azole - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Primary aliphatic amine - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Amine - 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