N-(carbamoylmethyl)-2-{4-[(2-methoxyquinolin-3-yl)methyl]morpholin-3-yl}acetamide

• ChemBase ID: 676563
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: c1(c(nc2c(c1)cccc2)OC)CN1C(CC(=O)NCC(=O)N)COCC1
• Canonical SMILES: COc1nc2ccccc2cc1CN1CCOCC1CC(=O)NCC(=O)N
• InChI: InChI=1S/C19H24N4O4/c1-26-19-14(8-13-4-2-3-5-16(13)22-19)11-23-6-7-27-12-15(23)9-18(25)21-10-17(20)24/h2-5,8,15H,6-7,9-12H2,1H3,(H2,20,24)(H,21,25)
• InChIKey: HJHOEIZJPLVFLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(carbamoylmethyl)-2-{4-[(2-methoxyquinolin-3-yl)methyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: N-(carbamoylmethyl)-2-{4-[(2-methoxyquinolin-3-yl)methyl]morpholin-3-yl}acetamide
• Synonyms: N~2~-({4-[(2-methoxy-3-quinolinyl)methyl]-3-morpholinyl}acetyl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.759338
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.90447015
• LogD (pH = 7.4): 0.09943273
• Log P: 0.15312031
• Molar Refractivity: 99.4531 cm^3
• Polarizability: 39.942497 Å^3
• Polar Surface Area: 106.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.33
• LOG S: -2.94
• Polar Surface Area: 106.78 Å^2
• Rotatable Bonds: 7