(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

IUPAC(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
SMILESCC(C)(C)[Si](C)(C)OCCn1c(=O)ccc2ccc(F)c(CCNC[C@H]3CN(C4=CN=CCN4)C(=O)O3)c21
InChIInChI=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
InChIKeyUEDOIOQLBKWBHK-FQEVSTJZSA-N
MW543.72 g/mol
LogP3.59
Rot. Bonds10

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 CID175400112
Molecular FormulaC27H38FN5O4Si
Molecular Weight543.72 g/mol
Exact Mass543.27
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
SMILESCC(C)(C)[Si](C)(C)OCCn1c(=O)ccc2ccc(F)c(CCNC[C@H]3CN(C4=CN=CCN4)C(=O)O3)c21
InChIInChI=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
InChIKeyUEDOIOQLBKWBHK-FQEVSTJZSA-N
XLogP3.59
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-[7-fluoro-1-(2-hydroxyethyl)-2-oxoquinolin-8-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
CID 175400091
(5S)-3-(1,2-dihydropyrazin-6-yl)-5-[[2-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-1,3-oxazolidin-2-one
CID 175057120
6-[5-[[2-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146458463
(5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one
CID 175054795
(5R)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58756483
(5R)-3-(4-ethoxyphenyl)-5-[[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]methyl]-1,3-oxazolidin-2-one
CID 45380697
6-[(5R)-5-[[3-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)propylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490472
6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 142601127
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
CID 67351725
6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane
CID 159146316
6-[(5S)-5-[[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 155162513

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).