8-fluoro-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide

• ChemBase ID: 388940
• Molecular Formular: C17H16FN3O2S
• Molecular Mass: 345.3912432
• Monoisotopic Mass: 345.09472599
• SMILES: n1c(C(=O)N(Cc2nccs2)CCOC)ccc2c1c(F)ccc2
• Canonical SMILES: COCCN(C(=O)c1ccc2c(n1)c(F)ccc2)Cc1nccs1
• InChI: InChI=1S/C17H16FN3O2S/c1-23-9-8-21(11-15-19-7-10-24-15)17(22)14-6-5-12-3-2-4-13(18)16(12)20-14/h2-7,10H,8-9,11H2,1H3
• InChIKey: RSRSVWOVZMIAAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
• IUPAC Traditional name: 8-fluoro-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
• Synonyms: 8-fluoro-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3667085
• LogD (pH = 7.4): 2.3668995
• Log P: 2.366902
• Molar Refractivity: 88.887 cm^3
• Polarizability: 34.89716 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.16
• LOG S: -3.56
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6