2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]quinolin-8-ol

• ChemBase ID: 311686
• Molecular Formular: C15H10BrNOS
• Molecular Mass: 332.215
• Monoisotopic Mass: 330.96664695
• SMILES: n1c2c(O)cccc2ccc1/C=C/c1sc(cc1)Br
• Canonical SMILES: Brc1ccc(s1)/C=C/c1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C15H10BrNOS/c16-14-9-8-12(19-14)7-6-11-5-4-10-2-1-3-13(18)15(10)17-11/h1-9,18H/b7-6+
• InChIKey: XTQOBCQQVGVHDH-VOTSOKGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]quinolin-8-ol
• IUPAC Traditional name: 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]quinolin-8-ol
• Synonyms: 2-[(E)-2-(5-bromo-2-thienyl)vinyl]quinolin-8-ol

Database IDs

• CAS Number: 353517-94-9
• MDL Number: MFCD01929801

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.225288
• LogD (pH = 7.4): 5.242805
• Log P: 5.2484674
• Molar Refractivity: 80.6405 cm^3
• Polarizability: 32.104393 Å^3
• Polar Surface Area: 33.12 Å^2