2-methyl-9-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one

• ChemBase ID: 185378
• Molecular Formular: C18H16N2O
• Molecular Mass: 276.33244
• Monoisotopic Mass: 276.12626314
• SMILES: c12n(c3c(c1CCN(C2=O)C)cccc3)c1ccccc1
• Canonical SMILES: CN1CCc2c(C1=O)n(c1ccccc1)c1c2cccc1
• InChI: InChI=1S/C18H16N2O/c1-19-12-11-15-14-9-5-6-10-16(14)20(17(15)18(19)21)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
• InChIKey: SDXXOAKMAHOTRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-9-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one
• IUPAC Traditional name: 2-methyl-9-phenyl-3H,4H-pyrido[3,4-b]indol-1-one

Database IDs

• PubChem SID: 164241288
• PubChem CID: 741616

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5463998
• LogD (pH = 7.4): 2.5464
• Log P: 2.5464
• Molar Refractivity: 94.197 cm^3
• Polarizability: 33.51965 Å^3
• Polar Surface Area: 25.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds