Compound Identification
SMILES
[Br-].OCC[N+]1=CC=C(\C=C\C=C2/SC3=CC=CC=C3N2CCOC2=CC=CC=C2)C2=CC=CC=C12
InChIKey
InChIKey=IHCRHDKKZBGIMK-UHFFFAOYSA-M
Formula
C29H27BrN2O2S
Mass
547.51
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 Phenoxy compounds Phenol ethers Aryl thioethers Alkyl aryl ethers Pyridinium derivatives Thiazoles Heteroaromatic compounds Tertiary amines Ketene acetals Alkanolamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic bromide salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Thiazole - Heteroaromatic compound - Tertiary amine - Ketene acetal or derivatives - Ether - Alkanolamine - Azacycle - Organonitrogen compound - Amine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic bromide salt - Organooxygen compound - Primary alcohol - 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