Compound Identification
SMILES
OC(=O)C(F)(F)F.NC1=NC=CC2=C1C=C(OCCNC(=O)C1=CC=C(OC3CCNCC3)C=C1)C=C2
InChIKey
InChIKey=NYUKRNABEJCATN-UHFFFAOYSA-N
Formula
C25H27F3N4O5
Mass
520.509
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
Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Aminopyridines and derivatives Piperidines Imidolactams Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Alkyl fluorides Primary amines Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Isoquinoline - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aminopyridine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyridine - Piperidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organonitrogen compound - Carbonyl group - Primary amine - Alkyl halide - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - 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