6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

C27H30FN5O4 — CID 71152895

About 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 71152895) has the molecular formula C27H30FN5O4 and a molecular weight of 507.57 g/mol. Its IUPAC name is 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 71152895
• Molecular Formula: C27H30FN5O4
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.23
• IUPAC Name: 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)N(C)C(=O)CO6)(CC3)CO4)c2n1
• InChI: InChI=1S/C27H30FN5O4/c1-33-23(34)15-36-21-5-3-17(31-25(21)33)13-30-26-9-11-27(12-10-26,37-16-26)8-7-18-19(28)14-29-20-4-6-22(35-2)32-24(18)20/h3-6,14,30H,7-13,15-16H2,1-2H3
• InChIKey: BGTUUOBDDMDNLS-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 98.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 71152895) is 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)N(C)C(=O)CO6)(CC3)CO4)c2n1.

What is the InChIKey of 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is BGTUUOBDDMDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4/c1-33-23(34)15-36-21-5-3-17(31-25(21)33)13-30-26-9-11-27(12-10-26,37-16-26)8-7-18-19(28)14-29-20-4-6-22(35-2)32-24(18)20/h3-6,14,30H,7-13,15-16H2,1-2H3.

What are the key properties of 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 507.57 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 71152895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).