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

C29H32FN7O5 — CID 78015452

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

6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 78015452) has the molecular formula C29H32FN7O5 and a molecular weight of 577.62 g/mol. Its IUPAC name is 6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 78015452
• Molecular Formula: C29H32FN7O5
• Molecular Weight: 577.62 g/mol
• Exact Mass: 577.24
• IUPAC Name: 6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: NC1C(=O)NC1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1
• InChI: InChI=1S/C29H32FN7O5/c30-18-12-32-19-2-4-23(41-13-20-24(31)27(39)35-20)37-25(19)17(18)5-6-29-9-7-28(8-10-29,15-42-29)33-11-16-1-3-21-26(34-16)36-22(38)14-40-21/h1-4,12,20,24,33H,5-11,13-15,31H2,(H,35,39)(H,34,36,38)
• InChIKey: XZAFVLBTLMVRHM-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 162.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.62
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 78015452) is 6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

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

The canonical SMILES for 6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is NC1C(=O)NC1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1.

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

The InChIKey is XZAFVLBTLMVRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O5/c30-18-12-32-19-2-4-23(41-13-20-24(31)27(39)35-20)37-25(19)17(18)5-6-29-9-7-28(8-10-29,15-42-29)33-11-16-1-3-21-26(34-16)36-22(38)14-40-21/h1-4,12,20,24,33H,5-11,13-15,31H2,(H,35,39)(H,34,36,38).

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

6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 577.62 g/mol, XLogP of 1.50, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 78015452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).