1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid

C32H33F2N3O8 — CID 158677069

About 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 158677069) has the molecular formula C32H33F2N3O8 and a molecular weight of 625.63 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 158677069
• Molecular Formula: C32H33F2N3O8
• Molecular Weight: 625.63 g/mol
• Exact Mass: 625.22
• IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
• SMILES: COc1c(N2CCC(COc3ccc(N4C[C@H](CCC(C)=O)OC4=O)cc3F)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
• InChI: InChI=1S/C32H33F2N3O8/c1-17(38)3-7-21-14-37(32(42)45-21)20-6-8-26(24(33)11-20)44-16-18-9-10-35(13-18)28-25(34)12-22-27(30(28)43-2)36(19-4-5-19)15-23(29(22)39)31(40)41/h6,8,11-12,15,18-19,21H,3-5,7,9-10,13-14,16H2,1-2H3,(H,40,41)/t18?,21-/m0/s1
• InChIKey: IEQQFSCMCWXCIJ-ZYZRXSCRSA-N
• XLogP: 4.92
• TPSA: 127.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.63
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 158677069) is 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid is COc1c(N2CCC(COc3ccc(N4C[C@H](CCC(C)=O)OC4=O)cc3F)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.

What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The InChIKey is IEQQFSCMCWXCIJ-ZYZRXSCRSA-N. The full InChI is InChI=1S/C32H33F2N3O8/c1-17(38)3-7-21-14-37(32(42)45-21)20-6-8-26(24(33)11-20)44-16-18-9-10-35(13-18)28-25(34)12-22-27(30(28)43-2)36(19-4-5-19)15-23(29(22)39)31(40)41/h6,8,11-12,15,18-19,21H,3-5,7,9-10,13-14,16H2,1-2H3,(H,40,41)/t18?,21-/m0/s1.

What are the key properties of 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?

1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 625.63 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 158677069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).