Compound Identification
SMILES
COC1=CC=CC(=C1)N1C(N)=C(C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C2=C(C=C(C=C2)[N+]([O-])=O)C1=O
InChIKey
InChIKey=STLGOJJJAACMCT-UHFFFAOYSA-N
Formula
C24H15F3N4O4S
Mass
512.46
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
Benzothiazoles Methoxyanilines Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Aminopyridines and derivatives Pyridinones Alkyl aryl ethers Heteroaromatic compounds Thiazoles Lactams Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Methoxyaniline - 1,3-benzothiazole - Anisole - Phenol ether - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Aminopyridine - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Lactam - Organic nitro compound - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary 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