Compound Identification
SMILES
OC(=O)C(F)(F)F.O=C(NCCC1=CNC2=C1C1=C(C=C2)C(=O)NCC1)C1=CC=NC=C1
InChIKey
InChIKey=JTYGCCKCFIDFPD-UHFFFAOYSA-N
Formula
C21H19F3N4O4
Mass
448.402
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
Tetrahydroisoquinolines 3-alkylindoles Pyridinecarboxamides Substituted pyrroles Benzenoids Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Isoquinolone - Tetrahydroisoquinoline - 3-alkylindole - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Indole - Indole or derivatives - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Alpha-halocarboxylic acid - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - 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