6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C24H25FN6O6 — CID 142601074

About 6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 142601074) has the molecular formula C24H25FN6O6 and a molecular weight of 512.50 g/mol. Its IUPAC name is 6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
• PubChem CID: 142601074
• Molecular Formula: C24H25FN6O6
• Molecular Weight: 512.50 g/mol
• Exact Mass: 512.18
• IUPAC Name: 6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
• SMILES: Cc1cc(=O)n(C)c2c(OCCNCCC3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c(F)ccc12
• InChI: InChI=1S/C24H25FN6O6/c1-13-9-19(33)30(2)20-15(13)3-4-16(25)21(20)35-8-7-26-6-5-14-11-31(24(34)37-14)17-10-27-23-22(28-17)29-18(32)12-36-23/h3-4,9-10,14,26H,5-8,11-12H2,1-2H3,(H,28,29,32)
• InChIKey: VBXLNYQJZKDQIY-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 136.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.50
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 142601074) is 6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

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

The canonical SMILES for 6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is Cc1cc(=O)n(C)c2c(OCCNCCC3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c(F)ccc12.

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

The InChIKey is VBXLNYQJZKDQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O6/c1-13-9-19(33)30(2)20-15(13)3-4-16(25)21(20)35-8-7-26-6-5-14-11-31(24(34)37-14)17-10-27-23-22(28-17)29-18(32)12-36-23/h3-4,9-10,14,26H,5-8,11-12H2,1-2H3,(H,28,29,32).

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

6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 512.50 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 142601074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).