N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

• ChemBase ID: 845741
• Molecular Formular: C18H18N2O2S
• Molecular Mass: 326.41272
• Monoisotopic Mass: 326.10889883
• SMILES: c1(C(=O)N(Cc2sccc2)CCOC)cc2c(nc1)cccc2
• Canonical SMILES: COCCN(C(=O)c1cnc2c(c1)cccc2)Cc1cccs1
• InChI: InChI=1S/C18H18N2O2S/c1-22-9-8-20(13-16-6-4-10-23-16)18(21)15-11-14-5-2-3-7-17(14)19-12-15/h2-7,10-12H,8-9,13H2,1H3
• InChIKey: BMPXRHMQOFKHFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-(2-thienylmethyl)quinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0179312
• LogD (pH = 7.4): 3.019255
• Log P: 3.0192719
• Molar Refractivity: 91.3971 cm^3
• Polarizability: 36.07755 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.05
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6