1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone

C17H12FNO2 — CID 107387266

IUPAC1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1c(F)cccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C17H12FNO2/c1-11(20)17-14(18)6-4-8-16(17)21-13-9-12-5-2-3-7-15(12)19-10-13/h2-10H,1H3
InChIKeyXSMYXYFDGRSIOS-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.37
Rot. Bonds3

About 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone

1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone (PubChem CID 107387266) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
PubChem CID107387266
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1c(F)cccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C17H12FNO2/c1-11(20)17-14(18)6-4-8-16(17)21-13-9-12-5-2-3-7-15(12)19-10-13/h2-10H,1H3
InChIKeyXSMYXYFDGRSIOS-UHFFFAOYSA-N
XLogP4.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxiquine
CID 6855
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
quinolin-8-yl (E)-3-phenylprop-2-enoate
CID 701842
1-{4-Methoxy-3-[(8-quinolinyloxy)methyl]phenyl}ethanone
CID 973526
(3E)-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 1551716
2-[3-(8-Quinolinyloxy)propoxy]benzaldehyde
CID 2994188
2-(Pyridin-4-yl)-4h-chromen-4-one
CID 242586
8-[(2-Fluorobenzyl)oxy]quinoline
CID 6460708
N-hydroxy-4-(quinolin-8-yloxymethyl)benzamide
CID 132144667
Methyl 2-(2-quinoxalinyloxy)benzenecarboxylate
CID 3734302
8-[(4-Fluorobenzyl)oxy]quinoline
CID 2953616
2-(Pyridin-2-ylmethoxy)benzaldehyde
CID 771116

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone (CID 107387266) is 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone is CC(=O)c1c(F)cccc1Oc1cnc2ccccc2c1.
What is the InChIKey of 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone?
The InChIKey is XSMYXYFDGRSIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11(20)17-14(18)6-4-8-16(17)21-13-9-12-5-2-3-7-15(12)19-10-13/h2-10H,1H3.
What are the key properties of 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone?
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone has a molecular weight of 281.29 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 107387266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).