N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide

• ChemBase ID: 517592
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C(=O)(N(Cc1c2c(nccc2)c(cc1)OC)C)CC1CCOCC1
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)CC1CCOCC1)C
• InChI: InChI=1S/C19H24N2O3/c1-21(18(22)12-14-7-10-24-11-8-14)13-15-5-6-17(23-2)19-16(15)4-3-9-20-19/h3-6,9,14H,7-8,10-13H2,1-2H3
• InChIKey: PYDSPFWLXZGVND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
• Synonyms: N-[(8-methoxy-5-quinolinyl)methyl]-N-methyl-2-(tetrahydro-2H-pyran-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.750692
• LogD (pH = 7.4): 1.7511221
• Log P: 1.7511276
• Molar Refractivity: 92.5822 cm^3
• Polarizability: 37.208424 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.4
• LOG S: -2.19
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4