7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one

C11H13FN2O3S — CID 79291523

IUPAC7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCS(=O)(=O)CCC1Nc2ccc(F)cc2NC1=O
InChIInChI=1S/C11H13FN2O3S/c1-18(16,17)5-4-9-11(15)14-10-6-7(12)2-3-8(10)13-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15)
InChIKeyJRBNIMDNOXDMBJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.99
Rot. Bonds3

About 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one

7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 79291523) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID79291523
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCS(=O)(=O)CCC1Nc2ccc(F)cc2NC1=O
InChIInChI=1S/C11H13FN2O3S/c1-18(16,17)5-4-9-11(15)14-10-6-7(12)2-3-8(10)13-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15)
InChIKeyJRBNIMDNOXDMBJ-UHFFFAOYSA-N
XLogP0.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 79290992
7-bromo-6-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290887
7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 15337296
6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 130943924
7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79291758
6-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571897
4-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)butyl methanesulfonate
CID 86615155
6-fluoro-3-methyl-4-oxo-1,3-dihydroquinoxalin-4-ium-2-one
CID 21366417
methyl 3-[(2S)-6-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]propanoate
CID 155021360
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 82156858
2-[(3-fluorophenyl)methylsulfonylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
CID 20975245
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 79291523) is 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one is CS(=O)(=O)CCC1Nc2ccc(F)cc2NC1=O.
What is the InChIKey of 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is JRBNIMDNOXDMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-18(16,17)5-4-9-11(15)14-10-6-7(12)2-3-8(10)13-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one?
7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 272.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 79291523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).