N-methyl-3-(1,2-oxazolidin-2-yl)-N-(quinolin-4-ylmethyl)propanamide

• ChemBase ID: 574297
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: C(=O)(N(Cc1c2c(ncc1)cccc2)C)CCN1OCCC1
• Canonical SMILES: O=C(N(Cc1ccnc2c1cccc2)C)CCN1CCCO1
• InChI: InChI=1S/C17H21N3O2/c1-19(17(21)8-11-20-10-4-12-22-20)13-14-7-9-18-16-6-3-2-5-15(14)16/h2-3,5-7,9H,4,8,10-13H2,1H3
• InChIKey: ZGDXBDDWGKDEPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(1,2-oxazolidin-2-yl)-N-(quinolin-4-ylmethyl)propanamide
• IUPAC Traditional name: N-methyl-3-(1,2-oxazolidin-2-yl)-N-(quinolin-4-ylmethyl)propanamide
• Synonyms: 3-isoxazolidin-2-yl-N-methyl-N-(quinolin-4-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.89739895
• LogD (pH = 7.4): 0.92878616
• Log P: 0.9292026
• Molar Refractivity: 84.7702 cm^3
• Polarizability: 34.379128 Å^3
• Polar Surface Area: 45.67 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: 0.36
• LOG S: -1.69
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5