3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 208016
• Molecular Formular: C18H16N2O2
• Molecular Mass: 292.33184
• Monoisotopic Mass: 292.12117776
• SMILES: C1(c2c([nH]c3c2cccc3)C)(C(=O)Nc2c1cc(cc2)C)O
• Canonical SMILES: Cc1ccc2c(c1)C(O)(C(=O)N2)c1c(C)[nH]c2c1cccc2
• InChI: InChI=1S/C18H16N2O2/c1-10-7-8-15-13(9-10)18(22,17(21)20-15)16-11(2)19-14-6-4-3-5-12(14)16/h3-9,19,22H,1-2H3,(H,20,21)
• InChIKey: HVXXRYOVSSCAAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one

Database IDs

• PubChem SID: 164263926
• PubChem CID: 2951041

CALCULATED PROPERTIES

• Acid pKa: 11.269889
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.830347
• LogD (pH = 7.4): 2.8302898
• Log P: 2.8303478
• Molar Refractivity: 86.9788 cm^3
• Polarizability: 33.42179 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds