5-methyl-5-(piperidin-4-yl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione

• ChemBase ID: 653881
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: N1(C(=O)NC(C1=O)(C1CCNCC1)C)Cc1c2ncccc2ccc1
• Canonical SMILES: O=C1NC(C(=O)N1Cc1cccc2c1nccc2)(C)C1CCNCC1
• InChI: InChI=1S/C19H22N4O2/c1-19(15-7-10-20-11-8-15)17(24)23(18(25)22-19)12-14-5-2-4-13-6-3-9-21-16(13)14/h2-6,9,15,20H,7-8,10-12H2,1H3,(H,22,25)
• InChIKey: TXMMDKRKJZVQCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(piperidin-4-yl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-5-(piperidin-4-yl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione
• Synonyms: 5-methyl-5-piperidin-4-yl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.656744
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8332152
• LogD (pH = 7.4): -1.1467402
• Log P: 1.2636904
• Molar Refractivity: 93.9097 cm^3
• Polarizability: 37.840652 Å^3
• Polar Surface Area: 74.33 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: 1.56
• LOG S: -3.0
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 3