2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide

C11H11F2N3O2 — CID 82157627

IUPAC2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)CNc2cc(F)c(F)cc21
InChIInChI=1S/C11H11F2N3O2/c1-14-10(17)5-16-9-3-7(13)6(12)2-8(9)15-4-11(16)18/h2-3,15H,4-5H2,1H3,(H,14,17)
InChIKeyOHNCJRYXWBZUHV-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.47
Rot. Bonds2

About 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide

2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide (PubChem CID 82157627) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide
PubChem CID82157627
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)CNc2cc(F)c(F)cc21
InChIInChI=1S/C11H11F2N3O2/c1-14-10(17)5-16-9-3-7(13)6(12)2-8(9)15-4-11(16)18/h2-3,15H,4-5H2,1H3,(H,14,17)
InChIKeyOHNCJRYXWBZUHV-UHFFFAOYSA-N
XLogP0.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide (CID 82157627) is 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide is CNC(=O)CN1C(=O)CNc2cc(F)c(F)cc21.
What is the InChIKey of 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide?
The InChIKey is OHNCJRYXWBZUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-14-10(17)5-16-9-3-7(13)6(12)2-8(9)15-4-11(16)18/h2-3,15H,4-5H2,1H3,(H,14,17).
What are the key properties of 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide?
2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide has a molecular weight of 255.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide is sourced from PubChem (CID 82157627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).