N-methyl-2-(morpholin-3-yl)-N-(quinolin-2-ylmethyl)acetamide

• ChemBase ID: 507435
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: C(=O)(CC1NCCOC1)N(Cc1nc2c(cc1)cccc2)C
• Canonical SMILES: O=C(N(Cc1ccc2c(n1)cccc2)C)CC1COCCN1
• InChI: InChI=1S/C17H21N3O2/c1-20(17(21)10-15-12-22-9-8-18-15)11-14-7-6-13-4-2-3-5-16(13)19-14/h2-7,15,18H,8-12H2,1H3
• InChIKey: ZGOPUVIYLHHRRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(morpholin-3-yl)-N-(quinolin-2-ylmethyl)acetamide
• IUPAC Traditional name: N-methyl-2-(morpholin-3-yl)-N-(quinolin-2-ylmethyl)acetamide
• Synonyms: N-methyl-2-(3-morpholinyl)-N-(2-quinolinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.32581
• LogD (pH = 7.4): 0.395221
• Log P: 0.9673934
• Molar Refractivity: 83.8494 cm^3
• Polarizability: 34.37954 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.21
• LOG S: -2.51
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4