3,3-dimethyl-6-propyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinolin-1-ol

• ChemBase ID: 185060
• Molecular Formular: C20H24N2O
• Molecular Mass: 308.41736
• Monoisotopic Mass: 308.1888634
• SMILES: c12c3c(nc(c1c1c([nH]2)cccc1)CCC)CC(CC3O)(C)C
• Canonical SMILES: CCCc1nc2CC(C)(C)CC(c2c2c1c1ccccc1[nH]2)O
• InChI: InChI=1S/C20H24N2O/c1-4-7-14-17-12-8-5-6-9-13(12)22-19(17)18-15(21-14)10-20(2,3)11-16(18)23/h5-6,8-9,16,22-23H,4,7,10-11H2,1-3H3
• InChIKey: GAXQYQOOCOXVFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethyl-6-propyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinolin-1-ol
• IUPAC Traditional name: 3,3-dimethyl-6-propyl-1H,2H,4H,11H-indolo[3,2-c]quinolin-1-ol

Database IDs

• PubChem SID: 164240970
• PubChem CID: 5910453

CALCULATED PROPERTIES

• Acid pKa: 12.7715435
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9453697
• LogD (pH = 7.4): 2.7185702
• Log P: 3.8321133
• Molar Refractivity: 92.7323 cm^3
• Polarizability: 38.562748 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds