ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate

C30H33F2N5O6 — CID 10304087

About ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate

ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 10304087) has the molecular formula C30H33F2N5O6 and a molecular weight of 597.62 g/mol. Its IUPAC name is ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
• PubChem CID: 10304087
• Molecular Formula: C30H33F2N5O6
• Molecular Weight: 597.62 g/mol
• Exact Mass: 597.24
• IUPAC Name: ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
• SMILES: CCOC(=O)c1cn(CC)c2cc(N3CCN(c4ccc(N5C[C@H](CNC(C)=O)OC5=O)cc4F)CC3)c(F)cc2c1=O
• InChI: InChI=1S/C30H33F2N5O6/c1-4-34-17-22(29(40)42-5-2)28(39)21-13-24(32)27(14-26(21)34)36-10-8-35(9-11-36)25-7-6-19(12-23(25)31)37-16-20(43-30(37)41)15-33-18(3)38/h6-7,12-14,17,20H,4-5,8-11,15-16H2,1-3H3,(H,33,38)/t20-/m0/s1
• InChIKey: PLSGNHSFXWKADJ-FQEVSTJZSA-N
• XLogP: 3.26
• TPSA: 113.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.62
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?

The IUPAC name of ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate (CID 10304087) is ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate.

What is the SMILES notation for ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?

The canonical SMILES for ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(N3CCN(c4ccc(N5C[C@H](CNC(C)=O)OC5=O)cc4F)CC3)c(F)cc2c1=O.

What is the InChIKey of ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?

The InChIKey is PLSGNHSFXWKADJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H33F2N5O6/c1-4-34-17-22(29(40)42-5-2)28(39)21-13-24(32)27(14-26(21)34)36-10-8-35(9-11-36)25-7-6-19(12-23(25)31)37-16-20(43-30(37)41)15-33-18(3)38/h6-7,12-14,17,20H,4-5,8-11,15-16H2,1-3H3,(H,33,38)/t20-/m0/s1.

What are the key properties of ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?

ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 597.62 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 10304087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).