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

• ChemBase ID: 189274
• Molecular Formular: C18H20N2O
• Molecular Mass: 280.3642
• Monoisotopic Mass: 280.15756327
• SMILES: c12c(c3c(nc2C)CC(CC3O)(C)C)c2c([nH]1)cccc2
• Canonical SMILES: OC1CC(C)(C)Cc2c1c1c(c(n2)C)[nH]c2c1cccc2
• InChI: InChI=1S/C18H20N2O/c1-10-17-15(11-6-4-5-7-12(11)20-17)16-13(19-10)8-18(2,3)9-14(16)21/h4-7,14,20-21H,8-9H2,1-3H3
• InChIKey: PBJUPZQSOBQERT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245184
• PubChem CID: 5730028

CALCULATED PROPERTIES

• Acid pKa: 13.615897
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2317479
• LogD (pH = 7.4): 2.6767683
• Log P: 2.6870089
• Molar Refractivity: 83.5044 cm^3
• Polarizability: 34.87242 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds