12-benzyl-3-methyl-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizine hydrochloride

• ChemBase ID: 182366
• Molecular Formular: C23H27ClN2
• Molecular Mass: 366.92688
• Monoisotopic Mass: 366.18627655
• SMILES: c12n(c3c(c1CCN1C2CCC(C1)C)cccc3)Cc1ccccc1.Cl
• Canonical SMILES: CC1CCC2N(C1)CCc1c2n(Cc2ccccc2)c2c1cccc2.Cl
• InChI: InChI=1S/C23H26N2.ClH/c1-17-11-12-22-23-20(13-14-24(22)15-17)19-9-5-6-10-21(19)25(23)16-18-7-3-2-4-8-18;/h2-10,17,22H,11-16H2,1H3;1H
• InChIKey: VSEVDNAANOMOOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-benzyl-3-methyl-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizine hydrochloride
• IUPAC Traditional name: 12-benzyl-3-methyl-1H,2H,3H,4H,6H,7H,12bH-indolo[2,3-a]quinolizine hydrochloride

Database IDs

• PubChem SID: 164238276
• PubChem CID: 52993241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.950262
• LogD (pH = 7.4): 4.6735187
• Log P: 5.1965494
• Molar Refractivity: 104.6674 cm^3
• Polarizability: 41.758976 Å^3
• Polar Surface Area: 8.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: HCl
• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds