1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone

C16H11FN2O — CID 105108919

IUPAC1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2n1)c1cncc(F)c1
InChIInChI=1S/C16H11FN2O/c17-13-7-12(9-18-10-13)16(20)8-14-6-5-11-3-1-2-4-15(11)19-14/h1-7,9-10H,8H2
InChIKeyLOKAEELBRMPWNX-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.19
Rot. Bonds3

About 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone

1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone (PubChem CID 105108919) has the molecular formula C16H11FN2O and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone
PubChem CID105108919
Molecular FormulaC16H11FN2O
Molecular Weight266.27 g/mol
Exact Mass266.09
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2n1)c1cncc(F)c1
InChIInChI=1S/C16H11FN2O/c17-13-7-12(9-18-10-13)16(20)8-14-6-5-11-3-1-2-4-15(11)19-14/h1-7,9-10H,8H2
InChIKeyLOKAEELBRMPWNX-UHFFFAOYSA-N
XLogP3.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanone
CID 105109077
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
CID 116548351
1,2-di(quinolin-2-yl)ethanone
CID 24973307
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone
CID 62515015
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
CID 79213616
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
1-chloro-1,1-difluoro-3-quinolin-2-ylpropan-2-one
CID 112574928
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
1-quinolin-2-ylpentan-2-one
CID 28935199

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone (CID 105108919) is 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone is O=C(Cc1ccc2ccccc2n1)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone?
The InChIKey is LOKAEELBRMPWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-13-7-12(9-18-10-13)16(20)8-14-6-5-11-3-1-2-4-15(11)19-14/h1-7,9-10H,8H2.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone?
1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone has a molecular weight of 266.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone is sourced from PubChem (CID 105108919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).