2-methoxy-N-[4-(2-methoxypyrimidin-5-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]acetamide

• ChemBase ID: 415641
• Molecular Formular: C17H18N4O4
• Molecular Mass: 342.34922
• Monoisotopic Mass: 342.13280508
• SMILES: c12NC(=O)CC(c1ccc(c2)NC(=O)COC)c1cnc(nc1)OC
• Canonical SMILES: COCC(=O)Nc1ccc2c(c1)NC(=O)CC2c1cnc(nc1)OC
• InChI: InChI=1S/C17H18N4O4/c1-24-9-16(23)20-11-3-4-12-13(6-15(22)21-14(12)5-11)10-7-18-17(25-2)19-8-10/h3-5,7-8,13H,6,9H2,1-2H3,(H,20,23)(H,21,22)
• InChIKey: RWWXVSKIGLELLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[4-(2-methoxypyrimidin-5-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]acetamide
• IUPAC Traditional name: 2-methoxy-N-[4-(2-methoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
• Synonyms: 2-methoxy-N-[4-(2-methoxypyrimidin-5-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.699398
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.5986287
• LogD (pH = 7.4): 0.598633
• Log P: 0.59863514
• Molar Refractivity: 93.2194 cm^3
• Polarizability: 34.12344 Å^3
• Polar Surface Area: 102.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.02
• LOG S: -3.03
• Polar Surface Area: 102.44 Å^2
• Rotatable Bonds: 5