ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate

C26H34FN3O6 — CID 71151131

About ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate

ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate (PubChem CID 71151131) has the molecular formula C26H34FN3O6 and a molecular weight of 503.57 g/mol. Its IUPAC name is ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate
• PubChem CID: 71151131
• Molecular Formula: C26H34FN3O6
• Molecular Weight: 503.57 g/mol
• Exact Mass: 503.24
• IUPAC Name: ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate
• SMILES: CCOC(=O)COc1ccc2ncc(F)c(CCC34CCC(NC(=O)OC(C)(C)C)(CC3)CO4)c2n1
• InChI: InChI=1S/C26H34FN3O6/c1-5-33-21(31)15-34-20-7-6-19-22(29-20)17(18(27)14-28-19)8-9-26-12-10-25(11-13-26,16-35-26)30-23(32)36-24(2,3)4/h6-7,14H,5,8-13,15-16H2,1-4H3,(H,30,32)
• InChIKey: WYVGLORGLIFTSX-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 108.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate?

The IUPAC name of ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate (CID 71151131) is ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate.

What is the SMILES notation for ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate?

The canonical SMILES for ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate is CCOC(=O)COc1ccc2ncc(F)c(CCC34CCC(NC(=O)OC(C)(C)C)(CC3)CO4)c2n1.

What is the InChIKey of ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate?

The InChIKey is WYVGLORGLIFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O6/c1-5-33-21(31)15-34-20-7-6-19-22(29-20)17(18(27)14-28-19)8-9-26-12-10-25(11-13-26,16-35-26)30-23(32)36-24(2,3)4/h6-7,14H,5,8-13,15-16H2,1-4H3,(H,30,32).

What are the key properties of ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate?

ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate has a molecular weight of 503.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate is sourced from PubChem (CID 71151131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).