14-methyl-10-(methylamino)-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: 188691
• Molecular Formular: C18H14N2O2
• Molecular Mass: 290.31596
• Monoisotopic Mass: 290.1055277
• SMILES: c12c3c(c(=O)c4c2cccc4)c(ccc3n(c(=O)c1)C)NC
• Canonical SMILES: CNc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C
• InChI: InChI=1S/C18H14N2O2/c1-19-13-7-8-14-16-12(9-15(21)20(14)2)10-5-3-4-6-11(10)18(22)17(13)16/h3-9,19H,1-2H3
• InChIKey: VWZKLCNNYBRXDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-methyl-10-(methylamino)-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-10-(methylamino)-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: 164244601
• PubChem CID: 904617

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5027711
• LogD (pH = 7.4): 2.503286
• Log P: 2.5032923
• Molar Refractivity: 96.6591 cm^3
• Polarizability: 31.882626 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds