6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane

C22H26FN7O6S — CID 159146316

About 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane

6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane (PubChem CID 159146316) has the molecular formula C22H26FN7O6S and a molecular weight of 535.56 g/mol. Its IUPAC name is 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane.

Molecular Properties

• Compound Name: 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane
• PubChem CID: 159146316
• Molecular Formula: C22H26FN7O6S
• Molecular Weight: 535.56 g/mol
• Exact Mass: 535.16
• IUPAC Name: 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane
• SMILES: C.Cn1c(=O)cnc2ccc(F)c(OCCNC[C@H]3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c21.S
• InChI: InChI=1S/C21H20FN7O6.CH4.H2S/c1-28-16(31)8-24-13-3-2-12(22)18(17(13)28)33-5-4-23-6-11-9-29(21(32)35-11)14-7-25-20-19(26-14)27-15(30)10-34-20;;/h2-3,7-8,11,23H,4-6,9-10H2,1H3,(H,26,27,30);1H4;1H2/t11-;;/m0../s1
• InChIKey: KISNQAYPPHNPAA-IDMXKUIJSA-N
• XLogP: 0.94
• TPSA: 149.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.56
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane?

The IUPAC name of 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane (CID 159146316) is 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane.

What is the SMILES notation for 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane?

The canonical SMILES for 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane is C.Cn1c(=O)cnc2ccc(F)c(OCCNC[C@H]3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c21.S.

What is the InChIKey of 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane?

The InChIKey is KISNQAYPPHNPAA-IDMXKUIJSA-N. The full InChI is InChI=1S/C21H20FN7O6.CH4.H2S/c1-28-16(31)8-24-13-3-2-12(22)18(17(13)28)33-5-4-23-6-11-9-29(21(32)35-11)14-7-25-20-19(26-14)27-15(30)10-34-20;;/h2-3,7-8,11,23H,4-6,9-10H2,1H3,(H,26,27,30);1H4;1H2/t11-;;/m0../s1.

What are the key properties of 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane?

6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane has a molecular weight of 535.56 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane is sourced from PubChem (CID 159146316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).