5-[1-(4-methylquinolin-2-yl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione

• ChemBase ID: 531266
• Molecular Formular: C23H23N5O2
• Molecular Mass: 401.46102
• Monoisotopic Mass: 401.185175
• SMILES: C1(=O)NC(=O)NC1(c1cnccc1)C1CCN(c2nc3c(c(c2)C)cccc3)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)(C1CCN(CC1)c1cc(C)c2c(n1)cccc2)c1cccnc1
• InChI: InChI=1S/C23H23N5O2/c1-15-13-20(25-19-7-3-2-6-18(15)19)28-11-8-16(9-12-28)23(17-5-4-10-24-14-17)21(29)26-22(30)27-23/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H2,26,27,29,30)
• InChIKey: ACXSUOPXOHAFQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(4-methylquinolin-2-yl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[1-(4-methylquinolin-2-yl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione
• Synonyms: 5-[1-(4-methylquinolin-2-yl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.798844
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8593884
• LogD (pH = 7.4): 2.9213274
• Log P: 2.9885552
• Molar Refractivity: 113.2554 cm^3
• Polarizability: 44.21904 Å^3
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.41
• LOG S: -3.33
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 3