5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 355415
• Molecular Formular: C27H30N4O2
• Molecular Mass: 442.5527
• Monoisotopic Mass: 442.23687622
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2cc3ncccc3cc2)CC1)CCCc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(CCCc1ccccc1)C1CCN(CC1)Cc1ccc2c(c1)nccc2
• InChI: InChI=1S/C27H30N4O2/c32-25-27(30-26(33)29-25,14-4-8-20-6-2-1-3-7-20)23-12-16-31(17-13-23)19-21-10-11-22-9-5-15-28-24(22)18-21/h1-3,5-7,9-11,15,18,23H,4,8,12-14,16-17,19H2,(H2,29,30,32,33)
• InChIKey: WTJGCCPFVLPQDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-(3-phenylpropyl)-5-[1-(7-quinolinylmethyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.202785
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0883914
• LogD (pH = 7.4): 2.7962415
• Log P: 3.9082215
• Molar Refractivity: 128.1287 cm^3
• Polarizability: 51.06582 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.55
• LOG S: -5.21
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 7