(5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one

C₂₂H₂₆FN₅O₄ — CID 175400098

About (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one

(5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one (PubChem CID 175400098) has the molecular formula C₂₂H₂₆FN₅O₄ and a molecular weight of 443.48 g/mol. Its IUPAC name is (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 175400098
• Molecular Formula: C₂₂H₂₆FN₅O₄
• Molecular Weight: 443.48 g/mol
• Exact Mass: 443.20
• IUPAC Name: (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
• SMILES: COCCn1c(=O)ccc2ccc(F)c(CCNC[C@H]3CN(C4=CN=CCN4)C(=O)O3)c21
• InChI: InChI=1S/C22H26FN5O4/c1-31-11-10-27-20(29)5-3-15-2-4-18(23)17(21(15)27)6-7-24-12-16-14-28(22(30)32-16)19-13-25-8-9-26-19/h2-5,8,13,16,24,26H,6-7,9-12,14H2,1H3/t16-/m0/s1
• InChIKey: WFUGEXGHMAUDBP-INIZCTEOSA-N
• XLogP: 1.21
• TPSA: 97.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.48
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one (CID 175400098) is (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one is COCCn1c(=O)ccc2ccc(F)c(CCNC[C@H]3CN(C4=CN=CCN4)C(=O)O3)c21.

What is the InChIKey of (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one?

The InChIKey is WFUGEXGHMAUDBP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26FN5O4/c1-31-11-10-27-20(29)5-3-15-2-4-18(23)17(21(15)27)6-7-24-12-16-14-28(22(30)32-16)19-13-25-8-9-26-19/h2-5,8,13,16,24,26H,6-7,9-12,14H2,1H3/t16-/m0/s1.

What are the key properties of (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one?

(5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 443.48 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 175400098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175400098 — identifiers, structure, computed properties (public domain)

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