14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-8,15-dione

• ChemBase ID: 189069
• Molecular Formular: C17H11NO2
• Molecular Mass: 261.27474
• Monoisotopic Mass: 261.0789786
• SMILES: c12c3c(n(c(=O)c1)C)cccc3c(=O)c1c2cccc1
• Canonical SMILES: O=c1c2ccccc2c2c3c1cccc3n(c(=O)c2)C
• InChI: InChI=1S/C17H11NO2/c1-18-14-8-4-7-12-16(14)13(9-15(18)19)10-5-2-3-6-11(10)17(12)20/h2-9H,1H3
• InChIKey: CZUBYXHLOKZSFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-methyl-14-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-8,15-dione
• IUPAC Traditional name: 14-methyl-14-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-8,15-dione

Database IDs

• PubChem SID: 164244979
• PubChem CID: 667753

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3805141
• LogD (pH = 7.4): 2.3805141
• Log P: 2.3805141
• Molar Refractivity: 86.4653 cm^3
• Polarizability: 28.904566 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds