1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one

C18H13F2NO3 — CID 123839241

IUPAC1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1
InChIInChI=1S/C18H13F2NO3/c1-10(22)18(23)16-13(19)5-3-7-15(16)24-12-8-11-4-2-6-14(20)17(11)21-9-12/h2-10,22H,1H3
InChIKeyYWXRCIYWJLHTCZ-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one

1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one (PubChem CID 123839241) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one
PubChem CID123839241
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC Name1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1
InChIInChI=1S/C18H13F2NO3/c1-10(22)18(23)16-13(19)5-3-7-15(16)24-12-8-11-4-2-6-14(20)17(11)21-9-12/h2-10,22H,1H3
InChIKeyYWXRCIYWJLHTCZ-UHFFFAOYSA-N
XLogP3.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one?
The IUPAC name of 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one (CID 123839241) is 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one.
What is the SMILES notation for 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one?
The canonical SMILES for 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one is CC(O)C(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1.
What is the InChIKey of 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one?
The InChIKey is YWXRCIYWJLHTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3/c1-10(22)18(23)16-13(19)5-3-7-15(16)24-12-8-11-4-2-6-14(20)17(11)21-9-12/h2-10,22H,1H3.
What are the key properties of 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one?
1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one has a molecular weight of 329.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one is sourced from PubChem (CID 123839241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).