8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one

C12H11BrFNO3S — CID 137357769

IUPAC8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one
SMILESCS(=O)(=O)CCn1c(=O)ccc2ccc(F)c(Br)c21
InChIInChI=1S/C12H11BrFNO3S/c1-19(17,18)7-6-15-10(16)5-3-8-2-4-9(14)11(13)12(8)15/h2-5H,6-7H2,1H3
InChIKeyWEOQUCVFXZAASK-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.95
Rot. Bonds3

About 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one

8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one (PubChem CID 137357769) has the molecular formula C12H11BrFNO3S and a molecular weight of 348.19 g/mol. Its IUPAC name is 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one
PubChem CID137357769
Molecular FormulaC12H11BrFNO3S
Molecular Weight348.19 g/mol
Exact Mass346.96
IUPAC Name8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one
SMILESCS(=O)(=O)CCn1c(=O)ccc2ccc(F)c(Br)c21
InChIInChI=1S/C12H11BrFNO3S/c1-19(17,18)7-6-15-10(16)5-3-8-2-4-9(14)11(13)12(8)15/h2-5H,6-7H2,1H3
InChIKeyWEOQUCVFXZAASK-UHFFFAOYSA-N
XLogP1.95
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one (CID 137357769) is 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one is CS(=O)(=O)CCn1c(=O)ccc2ccc(F)c(Br)c21.
What is the InChIKey of 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one?
The InChIKey is WEOQUCVFXZAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO3S/c1-19(17,18)7-6-15-10(16)5-3-8-2-4-9(14)11(13)12(8)15/h2-5H,6-7H2,1H3.
What are the key properties of 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one?
8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one has a molecular weight of 348.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one is sourced from PubChem (CID 137357769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).