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

C21H16N2O6 — CID 135798280

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cc(-c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C21H16N2O6/c24-14-7-5-13(6-8-14)18-11-16(15-3-1-2-4-17(15)22-18)20(26)29-12-19(25)23-9-10-28-21(23)27/h1-8,11,24H,9-10,12H2
InChIKeyMBXRHKNFSIAHHI-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.74
Rot. Bonds4

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

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate (PubChem CID 135798280) has the molecular formula C21H16N2O6 and a molecular weight of 392.37 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
PubChem CID135798280
Molecular FormulaC21H16N2O6
Molecular Weight392.37 g/mol
Exact Mass392.10
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cc(-c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C21H16N2O6/c24-14-7-5-13(6-8-14)18-11-16(15-3-1-2-4-17(15)22-18)20(26)29-12-19(25)23-9-10-28-21(23)27/h1-8,11,24H,9-10,12H2
InChIKeyMBXRHKNFSIAHHI-UHFFFAOYSA-N
XLogP2.74
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8648992
[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-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766683
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 3289831
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 8949664
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780546
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780545

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate (CID 135798280) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate is O=C(OCC(=O)N1CCOC1=O)c1cc(-c2ccc(O)cc2)nc2ccccc12.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The InChIKey is MBXRHKNFSIAHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O6/c24-14-7-5-13(6-8-14)18-11-16(15-3-1-2-4-17(15)22-18)20(26)29-12-19(25)23-9-10-28-21(23)27/h1-8,11,24H,9-10,12H2.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate has a molecular weight of 392.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 135798280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).