1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane

C37H52F2N4O5 — CID 143044925

About 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane

1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane (PubChem CID 143044925) has the molecular formula C37H52F2N4O5 and a molecular weight of 670.84 g/mol. Its IUPAC name is 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane.

Molecular Properties

• Compound Name: 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane
• PubChem CID: 143044925
• Molecular Formula: C37H52F2N4O5
• Molecular Weight: 670.84 g/mol
• Exact Mass: 670.39
• IUPAC Name: 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane
• SMILES: CC.CC.CCCCC.CC[C@H]1CN(c2ccc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C28H28F2N4O5.C5H12.2C2H6/c1-2-18-14-34(28(38)39-18)17-5-6-23(21(29)11-17)31-7-9-32(10-8-31)25-13-24-19(12-22(25)30)26(35)20(27(36)37)15-33(24)16-3-4-16;1-3-5-4-2;2*1-2/h5-6,11-13,15-16,18H,2-4,7-10,14H2,1H3,(H,36,37);3-5H2,1-2H3;2*1-2H3/t18-;;;/m0.../s1
• InChIKey: SFLRDACRQMLCQP-LPECGTQYSA-N
• XLogP: 8.62
• TPSA: 95.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.84
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane?

The IUPAC name of 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane (CID 143044925) is 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane.

What is the SMILES notation for 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane?

The canonical SMILES for 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane is CC.CC.CCCCC.CC[C@H]1CN(c2ccc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane?

The InChIKey is SFLRDACRQMLCQP-LPECGTQYSA-N. The full InChI is InChI=1S/C28H28F2N4O5.C5H12.2C2H6/c1-2-18-14-34(28(38)39-18)17-5-6-23(21(29)11-17)31-7-9-32(10-8-31)25-13-24-19(12-22(25)30)26(35)20(27(36)37)15-33(24)16-3-4-16;1-3-5-4-2;2*1-2/h5-6,11-13,15-16,18H,2-4,7-10,14H2,1H3,(H,36,37);3-5H2,1-2H3;2*1-2H3/t18-;;;/m0.../s1.

What are the key properties of 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane?

1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane has a molecular weight of 670.84 g/mol, XLogP of 8.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane is sourced from PubChem (CID 143044925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).