6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C23H23FN6O6 — CID 155162501

About 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 155162501) has the molecular formula C23H23FN6O6 and a molecular weight of 498.47 g/mol. Its IUPAC name is 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
• PubChem CID: 155162501
• Molecular Formula: C23H23FN6O6
• Molecular Weight: 498.47 g/mol
• Exact Mass: 498.17
• IUPAC Name: 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
• SMILES: CC(COc1c(F)ccc2ccc(=O)n(C)c12)NC[C@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
• InChI: InChI=1S/C23H23FN6O6/c1-12(10-34-20-15(24)5-3-13-4-6-18(32)29(2)19(13)20)25-7-14-9-30(23(33)36-14)16-8-26-22-21(27-16)28-17(31)11-35-22/h3-6,8,12,14,25H,7,9-11H2,1-2H3,(H,27,28,31)/t12?,14-/m0/s1
• InChIKey: DSXDPFVQKRFWCH-PYMCNQPYSA-N
• XLogP: 1.18
• TPSA: 136.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.47
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?

The IUPAC name of 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 155162501) is 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is CC(COc1c(F)ccc2ccc(=O)n(C)c12)NC[C@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.

What is the InChIKey of 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?

The InChIKey is DSXDPFVQKRFWCH-PYMCNQPYSA-N. The full InChI is InChI=1S/C23H23FN6O6/c1-12(10-34-20-15(24)5-3-13-4-6-18(32)29(2)19(13)20)25-7-14-9-30(23(33)36-14)16-8-26-22-21(27-16)28-17(31)11-35-22/h3-6,8,12,14,25H,7,9-11H2,1-2H3,(H,27,28,31)/t12?,14-/m0/s1.

What are the key properties of 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?

6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 498.47 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 155162501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).