4-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]morpholine-2-carboxamide

• ChemBase ID: 391144
• Molecular Formular: C16H19N3O3
• Molecular Mass: 301.34036
• Monoisotopic Mass: 301.14264148
• SMILES: c1(c(=O)[nH]c2c(c1)ccc(c2)C)CN1CC(C(=O)N)OCC1
• Canonical SMILES: NC(=O)C1OCCN(C1)Cc1cc2ccc(cc2[nH]c1=O)C
• InChI: InChI=1S/C16H19N3O3/c1-10-2-3-11-7-12(16(21)18-13(11)6-10)8-19-4-5-22-14(9-19)15(17)20/h2-3,6-7,14H,4-5,8-9H2,1H3,(H2,17,20)(H,18,21)
• InChIKey: SAFTZYPSNFLOCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]morpholine-2-carboxamide
• IUPAC Traditional name: 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-2-carboxamide
• Synonyms: 4-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.553232
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.57842433
• LogD (pH = 7.4): 0.5276526
• Log P: 0.59858614
• Molar Refractivity: 84.9056 cm^3
• Polarizability: 31.676193 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.41
• LOG S: -1.75
• Polar Surface Area: 88.42 Å^2
• Rotatable Bonds: 3