Compound Identification
SMILES
CC1=C2N=C(NC3=NC=NC(NC4=CC=CC5=C4N=CC=C5)=C3[N+]([O-])=O)SC2=CC=C1
InChIKey
InChIKey=KGYOKNFHKAEWHE-UHFFFAOYSA-N
Formula
C21H15N7O2S
Mass
429.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinolines and derivatives
Alternative Parents
Benzothiazoles Nitroaromatic compounds Aminopyrimidines and derivatives 2-amino-1,3-thiazoles Imidolactams Benzenoids Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Secondary amines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline - 1,3-benzothiazole - Nitroaromatic compound - Aminopyrimidine - Pyridine - Pyrimidine - 1,3-thiazol-2-amine - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Secondary amine - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
External Descriptors
Not available