1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid

C28H27F2N3O8 — CID 175262012

About 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 175262012) has the molecular formula C28H27F2N3O8 and a molecular weight of 571.53 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 175262012
• Molecular Formula: C28H27F2N3O8
• Molecular Weight: 571.53 g/mol
• Exact Mass: 571.18
• IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid
• SMILES: [H]/N=C(\C[C@](C)(O)COc1ccc(N2C[C@H](CO)OC2=O)cc1F)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
• InChI: InChI=1S/C28H27F2N3O8/c1-28(39,13-40-24-5-4-15(6-21(24)30)33-10-16(12-34)41-27(33)38)9-22(31)17-8-23-18(7-20(17)29)25(35)19(26(36)37)11-32(23)14-2-3-14/h4-8,11,14,16,31,34,39H,2-3,9-10,12-13H2,1H3,(H,36,37)/b31-22+/t16-,28+/m1/s1
• InChIKey: UQFXUFLPSJTFPY-SRDJMGABSA-N
• XLogP: 3.22
• TPSA: 162.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.53
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid (CID 175262012) is 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid is [H]/N=C(\C[C@](C)(O)COc1ccc(N2C[C@H](CO)OC2=O)cc1F)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1.

What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid?

The InChIKey is UQFXUFLPSJTFPY-SRDJMGABSA-N. The full InChI is InChI=1S/C28H27F2N3O8/c1-28(39,13-40-24-5-4-15(6-21(24)30)33-10-16(12-34)41-27(33)38)9-22(31)17-8-23-18(7-20(17)29)25(35)19(26(36)37)11-32(23)14-2-3-14/h4-8,11,14,16,31,34,39H,2-3,9-10,12-13H2,1H3,(H,36,37)/b31-22+/t16-,28+/m1/s1.

What are the key properties of 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid?

1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 571.53 g/mol, XLogP of 3.22, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-6-fluoro-7-[(3S)-4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]-3-hydroxy-3-methylbutanimidoyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 175262012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).