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

C26H28FN5O6 — CID 66737926

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

6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 66737926) has the molecular formula C26H28FN5O6 and a molecular weight of 525.54 g/mol. Its IUPAC name is 6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

• Compound Name: 6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• PubChem CID: 66737926
• Molecular Formula: C26H28FN5O6
• Molecular Weight: 525.54 g/mol
• Exact Mass: 525.20
• IUPAC Name: 6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• SMILES: COc1ccc2ncc(F)c(CN(CCO)CCCC3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2n1
• InChI: InChI=1S/C26H28FN5O6/c1-36-24-7-5-20-25(30-24)18(19(27)12-28-20)14-31(9-10-33)8-2-3-17-13-32(26(35)38-17)16-4-6-22-21(11-16)29-23(34)15-37-22/h4-7,11-12,17,33H,2-3,8-10,13-15H2,1H3,(H,29,34)
• InChIKey: DURLQIXKWILACH-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 126.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.54
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The IUPAC name of 6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 66737926) is 6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

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

The canonical SMILES for 6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is COc1ccc2ncc(F)c(CN(CCO)CCCC3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2n1.

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

The InChIKey is DURLQIXKWILACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O6/c1-36-24-7-5-20-25(30-24)18(19(27)12-28-20)14-31(9-10-33)8-2-3-17-13-32(26(35)38-17)16-4-6-22-21(11-16)29-23(34)15-37-22/h4-7,11-12,17,33H,2-3,8-10,13-15H2,1H3,(H,29,34).

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

6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 525.54 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66737926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).