2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol

C17H15BrN2O — CID 104802241

IUPAC2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Br)cn2)c2ccccc2n1
InChIInChI=1S/C17H15BrN2O/c1-11-8-15(14-4-2-3-5-16(14)20-11)17(21)9-13-7-6-12(18)10-19-13/h2-8,10,17,21H,9H2,1H3
InChIKeyCXQDGUHUEQXKDK-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.98
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol

2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol (PubChem CID 104802241) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
PubChem CID104802241
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Br)cn2)c2ccccc2n1
InChIInChI=1S/C17H15BrN2O/c1-11-8-15(14-4-2-3-5-16(14)20-11)17(21)9-13-7-6-12(18)10-19-13/h2-8,10,17,21H,9H2,1H3
InChIKeyCXQDGUHUEQXKDK-UHFFFAOYSA-N
XLogP3.98
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79235146
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79233820
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 79234085
1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol
CID 105126282
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235538
2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 104800583
3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235619
2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 104800540
2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969876
2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol
CID 104802318

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol (CID 104802241) is 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol is Cc1cc(C(O)Cc2ccc(Br)cn2)c2ccccc2n1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol?
The InChIKey is CXQDGUHUEQXKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11-8-15(14-4-2-3-5-16(14)20-11)17(21)9-13-7-6-12(18)10-19-13/h2-8,10,17,21H,9H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol has a molecular weight of 343.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol is sourced from PubChem (CID 104802241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).