3,3,5,6-tetramethyl-1H,2H,3H,4H,5H-indolo[3,2-c]quinolin-1-one; perchloric acid

• ChemBase ID: 184074
• Molecular Formular: C19H21ClN2O5
• Molecular Mass: 392.83344
• Monoisotopic Mass: 392.11389946
• SMILES: c12c3c(c(n(c1CC(CC2=O)(C)C)C)C)c1c(n3)cccc1.[Cl](=O)(=O)(=O)O
• Canonical SMILES: O[Cl](=O)(=O)=O.Cn1c2CC(C)(C)CC(=O)c2c2c(c1C)c1ccccc1n2
• InChI: InChI=1S/C19H20N2O.ClHO4/c1-11-16-12-7-5-6-8-13(12)20-18(16)17-14(21(11)4)9-19(2,3)10-15(17)22;2-1(3,4)5/h5-8H,9-10H2,1-4H3;(H,2,3,4,5)
• InChIKey: NNJPEWWHGZVOIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,5,6-tetramethyl-1H,2H,3H,4H,5H-indolo[3,2-c]quinolin-1-one; perchloric acid
• IUPAC Traditional name: 3,3,5,6-tetramethyl-2H,4H-indolo[3,2-c]quinolin-1-one; perchloric acid

Database IDs

• PubChem SID: 164239984
• PubChem CID: 52993351

CALCULATED PROPERTIES

• Acid pKa: 16.899439
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.668099
• LogD (pH = 7.4): 3.668384
• Log P: 3.668388
• Molar Refractivity: 88.1866 cm^3
• Polarizability: 36.16472 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HClO4
• Classification: Rare Derivatives of Natural Compounds