2-[6-(2H-1,3-benzodioxol-5-yl)hexyl]-1,4-dihydroquinolin-4-one
AlkaPlorer ID: AK262566
Synonym: None
IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)hexyl]-1H-quinolin-4-one
Structure
SMILES: O=C1C=C(CCCCCCC2=CC=C3OCOC3=C2)NC2=CC=CC=C12
InChI: InChI=1S/C22H23NO3/c24-20-14-17(23-19-10-6-5-9-18(19)20)8-4-2-1-3-7-16-11-12-21-22(13-16)26-15-25-21/h5-6,9-14H,1-4,7-8,15H2,(H,23,24)
InChIKey: CKZPIJIYEBHURL-UHFFFAOYSA-N
Reference
New Quinoline Alkaloids from <i>Ruta chalepensis</i>
PubChem CID: 10450485
LOTUS: LTS0211885
COCONUT: CNP0106198
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta chalepensis | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 349.43
TPSA？: 51.32
MolLogP？: 4.602400000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|