8-methoxy-2-(thiophen-3-yl)quinoline

• ChemBase ID: 656150
• Molecular Formular: C14H11NOS
• Molecular Mass: 241.30824
• Monoisotopic Mass: 241.05613498
• SMILES: n1c(c2cscc2)ccc2c1c(OC)ccc2
• Canonical SMILES: COc1cccc2c1nc(cc2)c1ccsc1
• InChI: InChI=1S/C14H11NOS/c1-16-13-4-2-3-10-5-6-12(15-14(10)13)11-7-8-17-9-11/h2-9H,1H3
• InChIKey: DCMNWWLLYTZLKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-(thiophen-3-yl)quinoline
• IUPAC Traditional name: 8-methoxy-2-(thiophen-3-yl)quinoline
• Synonyms: 8-methoxy-2-(3-thienyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.786661
• LogD (pH = 7.4): 3.7867458
• Log P: 3.7867467
• Molar Refractivity: 68.3125 cm^3
• Polarizability: 29.15006 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.1
• LOG S: -4.46
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2