(5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one

C₂₇H₃₈FN₅O₄Si — CID 175400112

About (5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one

(5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 175400112) has the molecular formula C₂₇H₃₈FN₅O₄Si and a molecular weight of 543.72 g/mol. Its IUPAC name is (5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 175400112
• Molecular Formula: C₂₇H₃₈FN₅O₄Si
• Molecular Weight: 543.72 g/mol
• Exact Mass: 543.27
• IUPAC Name: (5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OCCn1c(=O)ccc2ccc(F)c(CCNC[C@H]3CN(C4=CN=CCN4)C(=O)O3)c21
• InChI: InChI=1S/C27H38FN5O4Si/c1-27(2,3)38(4,5)36-15-14-32-24(34)9-7-19-6-8-22(28)21(25(19)32)10-11-29-16-20-18-33(26(35)37-20)23-17-30-12-13-31-23/h6-9,12,17,20,29,31H,10-11,13-16,18H2,1-5H3/t20-/m0/s1
• InChIKey: UEDOIOQLBKWBHK-FQEVSTJZSA-N
• XLogP: 3.59
• TPSA: 97.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.72
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one (CID 175400112) is (5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCCn1c(=O)ccc2ccc(F)c(CCNC[C@H]3CN(C4=CN=CCN4)C(=O)O3)c21.

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

The InChIKey is UEDOIOQLBKWBHK-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H38FN5O4Si/c1-27(2,3)38(4,5)36-15-14-32-24(34)9-7-19-6-8-22(28)21(25(19)32)10-11-29-16-20-18-33(26(35)37-20)23-17-30-12-13-31-23/h6-9,12,17,20,29,31H,10-11,13-16,18H2,1-5H3/t20-/m0/s1.

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

(5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 543.72 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2-oxoquinolin-8-yl]ethylamino]methyl]-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 175400112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175400112 — identifiers, structure, computed properties (public domain)

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