[1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate

C29H29F2N3O9 — CID 66720253

About [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate

[1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate (PubChem CID 66720253) has the molecular formula C29H29F2N3O9 and a molecular weight of 601.56 g/mol. Its IUPAC name is [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate.

Molecular Properties

• Compound Name: [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate
• PubChem CID: 66720253
• Molecular Formula: C29H29F2N3O9
• Molecular Weight: 601.56 g/mol
• Exact Mass: 601.19
• IUPAC Name: [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate
• SMILES: COc1c(N2CC[C@H](COc3ccc(N4C[C@H](CO)OC4=O)cc3F)C2)c(F)cc2c(=O)c(OC(=O)O)cn(C3CC3)c12
• InChI: InChI=1S/C29H29F2N3O9/c1-40-27-24-19(26(36)23(43-29(38)39)12-33(24)16-2-3-16)9-21(31)25(27)32-7-6-15(10-32)14-41-22-5-4-17(8-20(22)30)34-11-18(13-35)42-28(34)37/h4-5,8-9,12,15-16,18,35H,2-3,6-7,10-11,13-14H2,1H3,(H,38,39)/t15-,18+/m0/s1
• InChIKey: GAYNPYZOMDNNDE-MAUKXSAKSA-N
• XLogP: 3.90
• TPSA: 140.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.56
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate?

The IUPAC name of [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate (CID 66720253) is [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate.

What is the SMILES notation for [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate?

The canonical SMILES for [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate is COc1c(N2CC[C@H](COc3ccc(N4C[C@H](CO)OC4=O)cc3F)C2)c(F)cc2c(=O)c(OC(=O)O)cn(C3CC3)c12.

What is the InChIKey of [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate?

The InChIKey is GAYNPYZOMDNNDE-MAUKXSAKSA-N. The full InChI is InChI=1S/C29H29F2N3O9/c1-40-27-24-19(26(36)23(43-29(38)39)12-33(24)16-2-3-16)9-21(31)25(27)32-7-6-15(10-32)14-41-22-5-4-17(8-20(22)30)34-11-18(13-35)42-28(34)37/h4-5,8-9,12,15-16,18,35H,2-3,6-7,10-11,13-14H2,1H3,(H,38,39)/t15-,18+/m0/s1.

What are the key properties of [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate?

[1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate has a molecular weight of 601.56 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-cyclopropyl-6-fluoro-7-[(3S)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinolin-3-yl] hydrogen carbonate is sourced from PubChem (CID 66720253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).