[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

C21H15ClN2O5 — CID 8648992

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H15ClN2O5/c22-16-7-3-1-6-14(16)18-11-15(13-5-2-4-8-17(13)23-18)20(26)29-12-19(25)24-9-10-28-21(24)27/h1-8,11H,9-10,12H2
InChIKeyRQTJYJNELBLOFS-UHFFFAOYSA-N
MW410.81 g/mol
LogP3.69
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 8648992) has the molecular formula C21H15ClN2O5 and a molecular weight of 410.81 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID8648992
Molecular FormulaC21H15ClN2O5
Molecular Weight410.81 g/mol
Exact Mass410.07
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H15ClN2O5/c22-16-7-3-1-6-14(16)18-11-15(13-5-2-4-8-17(13)23-18)20(26)29-12-19(25)24-9-10-28-21(24)27/h1-8,11H,9-10,12H2
InChIKeyRQTJYJNELBLOFS-UHFFFAOYSA-N
XLogP3.69
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135798280
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8651884
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 8751097
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
(2-butoxy-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 16569056
[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2092168
1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 17493068
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23938963
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 8648992) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is O=C(OCC(=O)N1CCOC1=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is RQTJYJNELBLOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O5/c22-16-7-3-1-6-14(16)18-11-15(13-5-2-4-8-17(13)23-18)20(26)29-12-19(25)24-9-10-28-21(24)27/h1-8,11H,9-10,12H2.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 410.81 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 8648992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).