1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid

C28H29F2N3O7 — CID 24858716

About 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid

1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 24858716) has the molecular formula C28H29F2N3O7 and a molecular weight of 557.55 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 24858716
• Molecular Formula: C28H29F2N3O7
• Molecular Weight: 557.55 g/mol
• Exact Mass: 557.20
• IUPAC Name: 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(COc4ccc(N5C[C@H](CO)OC5=O)cc4F)CC3)cc21
• InChI: InChI=1S/C28H29F2N3O7/c1-2-31-13-20(27(36)37)26(35)19-10-21(29)24(11-23(19)31)32-7-5-16(6-8-32)15-39-25-4-3-17(9-22(25)30)33-12-18(14-34)40-28(33)38/h3-4,9-11,13,16,18,34H,2,5-8,12,14-15H2,1H3,(H,36,37)/t18-/m1/s1
• InChIKey: FQTILHNGBOUBMB-GOSISDBHSA-N
• XLogP: 3.61
• TPSA: 121.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.55
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid (CID 24858716) is 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(COc4ccc(N5C[C@H](CO)OC5=O)cc4F)CC3)cc21.

What is the InChIKey of 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The InChIKey is FQTILHNGBOUBMB-GOSISDBHSA-N. The full InChI is InChI=1S/C28H29F2N3O7/c1-2-31-13-20(27(36)37)26(35)19-10-21(29)24(11-23(19)31)32-7-5-16(6-8-32)15-39-25-4-3-17(9-22(25)30)33-12-18(14-34)40-28(33)38/h3-4,9-11,13,16,18,34H,2,5-8,12,14-15H2,1H3,(H,36,37)/t18-/m1/s1.

What are the key properties of 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 557.55 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 24858716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).