14-methyl-10-[(4-methylphenyl)amino]-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: 189568
• Molecular Formular: C24H18N2O2
• Molecular Mass: 366.41192
• Monoisotopic Mass: 366.13682783
• SMILES: c12c3c(c(=O)c4c2cccc4)c(Nc2ccc(cc2)C)ccc3n(c(=O)c1)C
• Canonical SMILES: Cc1ccc(cc1)Nc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C
• InChI: InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3
• InChIKey: VJUKWPOWHJITTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-methyl-10-[(4-methylphenyl)amino]-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-[(4-methylphenyl)amino]-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: 164245478
• PubChem CID: 66476

CALCULATED PROPERTIES

• Acid pKa: 18.681955
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.633861
• LogD (pH = 7.4): 5.6338615
• Log P: 5.6338615
• Molar Refractivity: 119.9927 cm^3
• Polarizability: 41.413933 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds