6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

C24H24FN5O5 — CID 66737308

About 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 66737308) has the molecular formula C24H24FN5O5 and a molecular weight of 481.48 g/mol. Its IUPAC name is 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

• Compound Name: 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• PubChem CID: 66737308
• Molecular Formula: C24H24FN5O5
• Molecular Weight: 481.48 g/mol
• Exact Mass: 481.18
• IUPAC Name: 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• SMILES: COc1ccc2ncc(F)c(CNCCC[C@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2n1
• InChI: InChI=1S/C24H24FN5O5/c1-33-22-7-5-18-23(29-22)16(17(25)11-27-18)10-26-8-2-3-15-12-30(24(32)35-15)14-4-6-20-19(9-14)28-21(31)13-34-20/h4-7,9,11,15,26H,2-3,8,10,12-13H2,1H3,(H,28,31)/t15-/m0/s1
• InChIKey: PSEUSGJOYHPQRH-HNNXBMFYSA-N
• XLogP: 3.00
• TPSA: 114.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.48
LogP ≤ 5	3.00
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-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The IUPAC name of 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 66737308) is 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

What is the SMILES notation for 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The canonical SMILES for 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is COc1ccc2ncc(F)c(CNCCC[C@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2n1.

What is the InChIKey of 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The InChIKey is PSEUSGJOYHPQRH-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24FN5O5/c1-33-22-7-5-18-23(29-22)16(17(25)11-27-18)10-26-8-2-3-15-12-30(24(32)35-15)14-4-6-20-19(9-14)28-21(31)13-34-20/h4-7,9,11,15,26H,2-3,8,10,12-13H2,1H3,(H,28,31)/t15-/m0/s1.

What are the key properties of 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 481.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66737308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).