7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C32H34F2N4O8 — CID 175264685

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

7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 175264685) has the molecular formula C32H34F2N4O8 and a molecular weight of 640.64 g/mol. Its IUPAC name is 7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 175264685
• Molecular Formula: C32H34F2N4O8
• Molecular Weight: 640.64 g/mol
• Exact Mass: 640.23
• IUPAC Name: 7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: CC(N)C(=O)OC[C@H]1CN(c2ccc(OCC3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C32H34F2N4O8/c1-17(35)31(42)45-16-21-13-38(32(43)46-21)20-4-5-28(25(34)10-20)44-15-18-6-8-36(9-7-18)27-12-26-22(11-24(27)33)29(39)23(30(40)41)14-37(26)19-2-3-19/h4-5,10-12,14,17-19,21H,2-3,6-9,13,15-16,35H2,1H3,(H,40,41)/t17?,21-/m1/s1
• InChIKey: YEXQGCQBBNPKAP-FBLFFUNLSA-N
• XLogP: 3.82
• TPSA: 153.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.64
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 175264685) is 7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

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

The canonical SMILES for 7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CC(N)C(=O)OC[C@H]1CN(c2ccc(OCC3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is YEXQGCQBBNPKAP-FBLFFUNLSA-N. The full InChI is InChI=1S/C32H34F2N4O8/c1-17(35)31(42)45-16-21-13-38(32(43)46-21)20-4-5-28(25(34)10-20)44-15-18-6-8-36(9-7-18)27-12-26-22(11-24(27)33)29(39)23(30(40)41)14-37(26)19-2-3-19/h4-5,10-12,14,17-19,21H,2-3,6-9,13,15-16,35H2,1H3,(H,40,41)/t17?,21-/m1/s1.

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

7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 640.64 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[[4-[(5R)-5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 175264685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).