8-[(1R,9aR)-octahydro-1H-quinolizin-1-ylmethoxy]quinoline

• ChemBase ID: 189653
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: N12[C@@H]([C@H](COc3c4ncccc4ccc3)CCC1)CCCC2
• Canonical SMILES: C1CCN2[C@H](C1)[C@@H](CCC2)COc1cccc2c1nccc2
• InChI: InChI=1S/C19H24N2O/c1-2-12-21-13-5-8-16(17(21)9-1)14-22-18-10-3-6-15-7-4-11-20-19(15)18/h3-4,6-7,10-11,16-17H,1-2,5,8-9,12-14H2/t16-,17+/m0/s1
• InChIKey: YTPGZPIZLZHNLJ-DLBZAZTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1R,9aR)-octahydro-1H-quinolizin-1-ylmethoxy]quinoline
• IUPAC Traditional name: 8-[(1R,9aR)-octahydro-1H-quinolizin-1-ylmethoxy]quinoline

Database IDs

• PubChem SID: 164245563
• PubChem CID: 11874050

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.009099688
• LogD (pH = 7.4): 1.2370975
• Log P: 3.412326
• Molar Refractivity: 88.425 cm^3
• Polarizability: 36.17427 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds