Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:29:11 UTC
Update Date2022-08-31 06:43:42 UTC
Metabolite IDMMDBc0018265
Metabolite Identification
Common Name2-(3'-(2'-hexylcyclopropyl)propyl)-4-hydroxyquinoline
Description2-(3'-(2'-hexylcyclopropyl)propyl)-4-hydroxyquinoline belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. 2-(3'-(2'-hexylcyclopropyl)propyl)-4-hydroxyquinoline is a moderately basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC21H29NO
Average Mass311.469
Monoisotopic Mass311.224914558
IUPAC Name2-[3-(2-hexylcyclopropyl)propyl]-1,4-dihydroquinolin-4-one
Traditional Name2-[3-(2-hexylcyclopropyl)propyl]-1H-quinolin-4-one
CAS Registry NumberNot Available
SMILES
CCCCCCC1CC1CCCC1=CC(=O)C2=CC=CC=C2N1
InChI Identifier
InChI=1S/C21H29NO/c1-2-3-4-5-9-16-14-17(16)10-8-11-18-15-21(23)19-12-6-7-13-20(19)22-18/h6-7,12-13,15-17H,2-5,8-11,14H2,1H3,(H,22,23)
InChI KeyDUZDMTRWNMGFEW-UHFFFAOYSA-N