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

• ChemBase ID: 202002
• Molecular Formular: C26H33ClN2
• Molecular Mass: 409.00662
• Monoisotopic Mass: 408.23322675
• SMILES: c12n(c3c(c1CCN1C2(CCC(C1)CCC)C)cccc3)Cc1ccccc1.Cl
• Canonical SMILES: CCCC1CCC2(N(C1)CCc1c2n(Cc2ccccc2)c2c1cccc2)C.Cl
• InChI: InChI=1S/C26H32N2.ClH/c1-3-9-20-14-16-26(2)25-23(15-17-27(26)18-20)22-12-7-8-13-24(22)28(25)19-21-10-5-4-6-11-21;/h4-8,10-13,20H,3,9,14-19H2,1-2H3;1H
• InChIKey: QDJVDYYFWSPDHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257912
• PubChem CID: 44667307

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6791835
• LogD (pH = 7.4): 5.4524264
• Log P: 6.3662634
• Molar Refractivity: 118.5076 cm^3
• Polarizability: 47.299477 Å^3
• Polar Surface Area: 8.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds