1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid

C37H42F2N4O11 — CID 66720175

About 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 66720175) has the molecular formula C37H42F2N4O11 and a molecular weight of 756.76 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 66720175
• Molecular Formula: C37H42F2N4O11
• Molecular Weight: 756.76 g/mol
• Exact Mass: 756.28
• IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• SMILES: C[C@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1CN(c2ccc(OCC3(O)CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C37H42F2N4O11/c1-20(40-34(48)54-36(2,3)4)33(47)51-18-23-16-43(35(49)53-23)22-7-8-30(27(39)13-22)52-19-37(50)9-11-41(12-10-37)29-15-28-24(14-26(29)38)31(44)25(32(45)46)17-42(28)21-5-6-21/h7-8,13-15,17,20-21,23,50H,5-6,9-12,16,18-19H2,1-4H3,(H,40,48)(H,45,46)/t20-,23+/m0/s1
• InChIKey: OLUKUDUMFIEEAX-NZQKXSOJSA-N
• XLogP: 4.50
• TPSA: 186.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.76
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid (CID 66720175) is 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid is C[C@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1CN(c2ccc(OCC3(O)CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The InChIKey is OLUKUDUMFIEEAX-NZQKXSOJSA-N. The full InChI is InChI=1S/C37H42F2N4O11/c1-20(40-34(48)54-36(2,3)4)33(47)51-18-23-16-43(35(49)53-23)22-7-8-30(27(39)13-22)52-19-37(50)9-11-41(12-10-37)29-15-28-24(14-26(29)38)31(44)25(32(45)46)17-42(28)21-5-6-21/h7-8,13-15,17,20-21,23,50H,5-6,9-12,16,18-19H2,1-4H3,(H,40,48)(H,45,46)/t20-,23+/m0/s1.

What are the key properties of 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 756.76 g/mol, XLogP of 4.50, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 66720175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).