3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-amine dihydrochloride

• ChemBase ID: 223060
• Molecular Formular: C18H23Cl2N3
• Molecular Mass: 352.30132
• Monoisotopic Mass: 351.12690311
• SMILES: c12c(c3c(nc2C)CC(CC3N)(C)C)c2c([nH]1)cccc2.Cl.Cl
• Canonical SMILES: NC1CC(C)(C)Cc2c1c1c(c(n2)C)[nH]c2c1cccc2.Cl.Cl
• InChI: InChI=1S/C18H21N3.2ClH/c1-10-17-15(11-6-4-5-7-13(11)21-17)16-12(19)8-18(2,3)9-14(16)20-10;;/h4-7,12,21H,8-9,19H2,1-3H3;2*1H
• InChIKey: QGPWTKLVGJNWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-amine dihydrochloride
• IUPAC Traditional name: 3,3,6-trimethyl-1H,2H,4H,7H-indolo[2,3-c]quinolin-1-amine dihydrochloride

Database IDs

• PubChem SID: 164278970
• PubChem CID: 13400573

CALCULATED PROPERTIES

• Acid pKa: 13.802307
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.45351478
• LogD (pH = 7.4): 0.3286735
• Log P: 2.580127
• Molar Refractivity: 85.1619 cm^3
• Polarizability: 35.84255 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl
• Classification: Rare Derivatives of Natural Compounds