ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate

C26H33FN2O6Si — CID 58882945

About ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate

ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 58882945) has the molecular formula C26H33FN2O6Si and a molecular weight of 516.64 g/mol. Its IUPAC name is ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
• PubChem CID: 58882945
• Molecular Formula: C26H33FN2O6Si
• Molecular Weight: 516.64 g/mol
• Exact Mass: 516.21
• IUPAC Name: ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3COCOCC[Si](C)(C)C)cc2n(C)c1=O
• InChI: InChI=1S/C26H33FN2O6Si/c1-6-35-26(32)22-24(30)23-21(29(2)25(22)31)12-17(14-28-23)11-18-7-8-20(27)13-19(18)15-34-16-33-9-10-36(3,4)5/h7-8,12-14,30H,6,9-11,15-16H2,1-5H3
• InChIKey: JUMKETPVFBTRMR-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 99.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.64
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate (CID 58882945) is ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3COCOCC[Si](C)(C)C)cc2n(C)c1=O.

What is the InChIKey of ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?

The InChIKey is JUMKETPVFBTRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O6Si/c1-6-35-26(32)22-24(30)23-21(29(2)25(22)31)12-17(14-28-23)11-18-7-8-20(27)13-19(18)15-34-16-33-9-10-36(3,4)5/h7-8,12-14,30H,6,9-11,15-16H2,1-5H3.

What are the key properties of ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?

ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 516.64 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 58882945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).