(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

IUPAC(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
SMILESCOCCn1c(=O)ccc2ccc(F)c(CCNC[C@H]3CN(C4=CN=CCN4)C(=O)O3)c21
InChIInChI=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
InChIKeyWFUGEXGHMAUDBP-INIZCTEOSA-N
MW443.48 g/mol
LogP1.21
Rot. Bonds9

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 CID175400098
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
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
SMILESCOCCn1c(=O)ccc2ccc(F)c(CCNC[C@H]3CN(C4=CN=CCN4)C(=O)O3)c21
InChIInChI=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
InChIKeyWFUGEXGHMAUDBP-INIZCTEOSA-N
XLogP1.21
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(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-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
6-[(5R)-5-[[2-(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67350287

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).