Compound Identification
SMILES
[Br-].CC[N+]1=C(\C=C2/SC3=CC=CC=C3N2CC(O)=O)C=CC2=CC=CC=C12
InChIKey
InChIKey=LEVKDWHMVSIKIA-UHFFFAOYSA-N
Formula
C21H19BrN2O2S
Mass
443.36
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
Alpha amino acids and derivatives Benzothiazoles Aryl thioethers Pyridinium derivatives Benzenoids Thiazoles Heteroaromatic compounds Ketene acetals Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Amines Carbonyl compounds Organic bromide salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Quinoline - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Thiazole - Ketene acetal or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic bromide salt - Organic salt - Organic cation - 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