2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol

C16H14BrNOS — CID 79235146

IUPAC2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2sccc2Br)c2ccccc2n1
InChIInChI=1S/C16H14BrNOS/c1-10-8-12(11-4-2-3-5-14(11)18-10)15(19)9-16-13(17)6-7-20-16/h2-8,15,19H,9H2,1H3
InChIKeyNZHIOQHWJJQOPM-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.64
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol (PubChem CID 79235146) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
PubChem CID79235146
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2sccc2Br)c2ccccc2n1
InChIInChI=1S/C16H14BrNOS/c1-10-8-12(11-4-2-3-5-14(11)18-10)15(19)9-16-13(17)6-7-20-16/h2-8,15,19H,9H2,1H3
InChIKeyNZHIOQHWJJQOPM-UHFFFAOYSA-N
XLogP4.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 104802241
2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79233820
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527
1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790767
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235538
3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235619
1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
CID 115959968
[(2-methylquinolin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322432
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 79234085
3-cyclopropyl-1-(2-methylquinolin-4-yl)propan-1-ol
CID 105105790

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol (CID 79235146) is 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol is Cc1cc(C(O)Cc2sccc2Br)c2ccccc2n1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol?
The InChIKey is NZHIOQHWJJQOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNOS/c1-10-8-12(11-4-2-3-5-14(11)18-10)15(19)9-16-13(17)6-7-20-16/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol has a molecular weight of 348.27 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol is sourced from PubChem (CID 79235146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).