N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]acetamide

• ChemBase ID: 626859
• Molecular Formular: C15H16N4O4
• Molecular Mass: 316.31194
• Monoisotopic Mass: 316.11715501
• SMILES: c1(=O)[nH]c(nc2c1cccc2)CN(C(=O)CN1C(=O)OCC1)C
• Canonical SMILES: O=C(N(Cc1nc2ccccc2c(=O)[nH]1)C)CN1CCOC1=O
• InChI: InChI=1S/C15H16N4O4/c1-18(13(20)9-19-6-7-23-15(19)22)8-12-16-11-5-3-2-4-10(11)14(21)17-12/h2-5H,6-9H2,1H3,(H,16,17,21)
• InChIKey: SBSOYBUWCVPDOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]acetamide
• IUPAC Traditional name: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• Synonyms: N-methyl-N-[(4-oxo-3,4-dihydro-2-quinazolinyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.648887
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5424421
• LogD (pH = 7.4): -0.54412293
• Log P: -0.5420076
• Molar Refractivity: 82.4449 cm^3
• Polarizability: 30.369549 Å^3
• Polar Surface Area: 91.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.11
• LOG S: -2.72
• Polar Surface Area: 95.6 Å^2
• Rotatable Bonds: 4