N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}oxolane-3-carboxamide

• ChemBase ID: 569979
• Molecular Formular: C17H20N2O3
• Molecular Mass: 300.3523
• Monoisotopic Mass: 300.14739251
• SMILES: n1c2c(OCCNC(=O)C3COCC3)cccc2ccc1C
• Canonical SMILES: O=C(C1COCC1)NCCOc1cccc2c1nc(C)cc2
• InChI: InChI=1S/C17H20N2O3/c1-12-5-6-13-3-2-4-15(16(13)19-12)22-10-8-18-17(20)14-7-9-21-11-14/h2-6,14H,7-11H2,1H3,(H,18,20)
• InChIKey: VBNKYRQPKAUCLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}oxolane-3-carboxamide
• IUPAC Traditional name: N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}oxolane-3-carboxamide
• Synonyms: N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.4606695
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2549047
• LogD (pH = 7.4): 1.2587574
• Log P: 1.2588067
• Molar Refractivity: 82.4233 cm^3
• Polarizability: 33.446556 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.81
• LOG S: -2.08
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5