2-(2,4-dioxoimidazolidin-1-yl)-N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]acetamide

• ChemBase ID: 852133
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: C1(=O)NC(=O)CN1CC(=O)NCCN1c2c(CCC1)cccc2
• Canonical SMILES: O=C(CN1CC(=O)NC1=O)NCCN1CCCc2c1cccc2
• InChI: InChI=1S/C16H20N4O3/c21-14(10-20-11-15(22)18-16(20)23)17-7-9-19-8-3-5-12-4-1-2-6-13(12)19/h1-2,4,6H,3,5,7-11H2,(H,17,21)(H,18,22,23)
• InChIKey: APEKLSKIYFLTBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dioxoimidazolidin-1-yl)-N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[2-(3,4-dihydro-1(2H)-quinolinyl)ethyl]-2-(2,4-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.617762
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.015482177
• LogD (pH = 7.4): 0.059178986
• Log P: 0.06239426
• Molar Refractivity: 85.1745 cm^3
• Polarizability: 32.02745 Å^3
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.47
• LOG S: -3.05
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 5