2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide

• ChemBase ID: 341196
• Molecular Formular: C16H18N4O4
• Molecular Mass: 330.33852
• Monoisotopic Mass: 330.13280508
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCC1c2c(N(C(=O)C1)C)cccc2
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCC1CC(=O)N(c2c1cccc2)C
• InChI: InChI=1S/C16H18N4O4/c1-19-12-5-3-2-4-11(12)10(6-14(19)22)7-17-13(21)9-20-15(23)8-18-16(20)24/h2-5,10H,6-9H2,1H3,(H,17,21)(H,18,24)
• InChIKey: ADQVRGKIVDAEKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.781733
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5042716
• LogD (pH = 7.4): -1.5042893
• Log P: -1.5042714
• Molar Refractivity: 84.1871 cm^3
• Polarizability: 32.20741 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.99
• LOG S: -2.07
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 4