6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride

C24H26Cl2FN5O5 — CID 69158646

About 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride

6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride (PubChem CID 69158646) has the molecular formula C24H26Cl2FN5O5 and a molecular weight of 554.41 g/mol. Its IUPAC name is 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride.

Molecular Properties

• Compound Name: 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
• PubChem CID: 69158646
• Molecular Formula: C24H26Cl2FN5O5
• Molecular Weight: 554.41 g/mol
• Exact Mass: 553.13
• IUPAC Name: 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
• SMILES: COc1cc(F)c2nccc(C3CN(CCCNCc4ccc5c(n4)NC(=O)CO5)C(=O)O3)c2c1.Cl.Cl
• InChI: InChI=1S/C24H24FN5O5.2ClH/c1-33-15-9-17-16(5-7-27-22(17)18(25)10-15)20-12-30(24(32)35-20)8-2-6-26-11-14-3-4-19-23(28-14)29-21(31)13-34-19;;/h3-5,7,9-10,20,26H,2,6,8,11-13H2,1H3,(H,28,29,31);2*1H
• InChIKey: CXTPURADRCJGAX-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 114.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.41
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?

The IUPAC name of 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride (CID 69158646) is 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride.

What is the SMILES notation for 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?

The canonical SMILES for 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride is COc1cc(F)c2nccc(C3CN(CCCNCc4ccc5c(n4)NC(=O)CO5)C(=O)O3)c2c1.Cl.Cl.

What is the InChIKey of 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?

The InChIKey is CXTPURADRCJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O5.2ClH/c1-33-15-9-17-16(5-7-27-22(17)18(25)10-15)20-12-30(24(32)35-20)8-2-6-26-11-14-3-4-19-23(28-14)29-21(31)13-34-19;;/h3-5,7,9-10,20,26H,2,6,8,11-13H2,1H3,(H,28,29,31);2*1H.

What are the key properties of 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?

6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride has a molecular weight of 554.41 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride is sourced from PubChem (CID 69158646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).