7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C30H31F2N5O7 — CID 22210893

About 7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 22210893) has the molecular formula C30H31F2N5O7 and a molecular weight of 611.60 g/mol. Its IUPAC name is 7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 22210893
• Molecular Formula: C30H31F2N5O7
• Molecular Weight: 611.60 g/mol
• Exact Mass: 611.22
• IUPAC Name: 7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: CCOC(=O)[C@@H](N)C1CN(c2ccc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C30H31F2N5O7/c1-2-43-29(41)26(33)25-15-37(30(42)44-25)17-5-6-22(20(31)11-17)34-7-9-35(10-8-34)24-13-23-18(12-21(24)32)27(38)19(28(39)40)14-36(23)16-3-4-16/h5-6,11-14,16,25-26H,2-4,7-10,15,33H2,1H3,(H,39,40)/t25?,26-/m0/s1
• InChIKey: FBZKKUXOWPSEKL-AMVUTOCUSA-N
• XLogP: 2.86
• TPSA: 147.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.60
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 22210893) is 7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

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

The canonical SMILES for 7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CCOC(=O)[C@@H](N)C1CN(c2ccc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is FBZKKUXOWPSEKL-AMVUTOCUSA-N. The full InChI is InChI=1S/C30H31F2N5O7/c1-2-43-29(41)26(33)25-15-37(30(42)44-25)17-5-6-22(20(31)11-17)34-7-9-35(10-8-34)24-13-23-18(12-21(24)32)27(38)19(28(39)40)14-36(23)16-3-4-16/h5-6,11-14,16,25-26H,2-4,7-10,15,33H2,1H3,(H,39,40)/t25?,26-/m0/s1.

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

7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 611.60 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 22210893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).