3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one

C10H10F2N2O — CID 82156858

IUPAC3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC1Nc2cc(F)c(F)cc2NC1=O
InChIInChI=1S/C10H10F2N2O/c1-2-7-10(15)14-9-4-6(12)5(11)3-8(9)13-7/h3-4,7,13H,2H2,1H3,(H,14,15)
InChIKeyVLMVLJZVKYNEMB-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.11
Rot. Bonds1

About 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one

3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 82156858) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID82156858
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC1Nc2cc(F)c(F)cc2NC1=O
InChIInChI=1S/C10H10F2N2O/c1-2-7-10(15)14-9-4-6(12)5(11)3-8(9)13-7/h3-4,7,13H,2H2,1H3,(H,14,15)
InChIKeyVLMVLJZVKYNEMB-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 84621637
3-butyl-6-fluoro-7-iodo-3,4-dihydro-1H-quinoxalin-2-one
CID 79291171
6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84627180
7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 103594407
6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 116739838
7-bromo-6-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290887
3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 79290992
6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 114920979
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271
6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 130943924
7-fluoro-6-methyl-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 103594416
5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84635535

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one (CID 82156858) is 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one is CCC1Nc2cc(F)c(F)cc2NC1=O.
What is the InChIKey of 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is VLMVLJZVKYNEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-2-7-10(15)14-9-4-6(12)5(11)3-8(9)13-7/h3-4,7,13H,2H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one?
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 212.20 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 82156858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).