Compound Identification
SMILES
NC1=NC=CC2=C1C=C(C=C2)N1N=C(C=C1NC(=O)C1=C(F)C=C(C=C1)C(=O)N1CCCC1)C(F)(F)F
InChIKey
InChIKey=NMUJZVUUTRSPCL-UHFFFAOYSA-N
Formula
C25H20F4N6O2
Mass
512.469
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzamides N-acylpyrrolidines Benzoyl derivatives Aminopyridines and derivatives Fluorobenzenes Imidolactams Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - N-acylpyrrolidine - Aminopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Pyrazole - Azole - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available