7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid

C32H28F2N4O8 — CID 69121657

About 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid

7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 69121657) has the molecular formula C32H28F2N4O8 and a molecular weight of 634.59 g/mol. Its IUPAC name is 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 69121657
• Molecular Formula: C32H28F2N4O8
• Molecular Weight: 634.59 g/mol
• Exact Mass: 634.19
• IUPAC Name: 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
• SMILES: CC(=O)C(N)C1CN(c2ccc(OC3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5-c4ccc(O)cc4)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C32H28F2N4O8/c1-16(39)29(35)28-15-38(32(44)46-28)18-4-7-27(24(34)10-18)45-20-8-9-36(13-20)26-12-25-21(11-23(26)33)30(41)22(31(42)43)14-37(25)17-2-5-19(40)6-3-17/h2-7,10-12,14,20,28-29,40H,8-9,13,15,35H2,1H3,(H,42,43)
• InChIKey: KWRVJCMOHKRLFE-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 164.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.59
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid (CID 69121657) is 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid is CC(=O)C(N)C1CN(c2ccc(OC3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5-c4ccc(O)cc4)C3)c(F)c2)C(=O)O1.

What is the InChIKey of 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?

The InChIKey is KWRVJCMOHKRLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4O8/c1-16(39)29(35)28-15-38(32(44)46-28)18-4-7-27(24(34)10-18)45-20-8-9-36(13-20)26-12-25-21(11-23(26)33)30(41)22(31(42)43)14-37(25)17-2-5-19(40)6-3-17/h2-7,10-12,14,20,28-29,40H,8-9,13,15,35H2,1H3,(H,42,43).

What are the key properties of 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?

7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 634.59 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-[5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 69121657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).