1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol

C16H13FN2O — CID 67248675

IUPAC1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol
SMILESCC(O)c1ccc2cccnc2c1-c1cncc(F)c1
InChIInChI=1S/C16H13FN2O/c1-10(20)14-5-4-11-3-2-6-19-16(11)15(14)12-7-13(17)9-18-8-12/h2-10,20H,1H3
InChIKeySEJSFUMKWMIWIM-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.49
Rot. Bonds2

About 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol

1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol (PubChem CID 67248675) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol.

Molecular Properties

Compound Name1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol
PubChem CID67248675
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol
SMILESCC(O)c1ccc2cccnc2c1-c1cncc(F)c1
InChIInChI=1S/C16H13FN2O/c1-10(20)14-5-4-11-3-2-6-19-16(11)15(14)12-7-13(17)9-18-8-12/h2-10,20H,1H3
InChIKeySEJSFUMKWMIWIM-UHFFFAOYSA-N
XLogP3.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol?
The IUPAC name of 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol (CID 67248675) is 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol.
What is the SMILES notation for 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol?
The canonical SMILES for 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol is CC(O)c1ccc2cccnc2c1-c1cncc(F)c1.
What is the InChIKey of 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol?
The InChIKey is SEJSFUMKWMIWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10(20)14-5-4-11-3-2-6-19-16(11)15(14)12-7-13(17)9-18-8-12/h2-10,20H,1H3.
What are the key properties of 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol?
1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol has a molecular weight of 268.29 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5-fluoro-3-pyridinyl)quinolin-7-yl]ethanol is sourced from PubChem (CID 67248675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).