[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

C20H16N2O6 — CID 8751097

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N3CCOC3=O)c3ccccc3n2)o1
InChIInChI=1S/C20H16N2O6/c1-12-6-7-17(28-12)16-10-14(13-4-2-3-5-15(13)21-16)19(24)27-11-18(23)22-8-9-26-20(22)25/h2-7,10H,8-9,11H2,1H3
InChIKeyNABDTFNHTJKPKJ-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.94
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (PubChem CID 8751097) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
PubChem CID8751097
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N3CCOC3=O)c3ccccc3n2)o1
InChIInChI=1S/C20H16N2O6/c1-12-6-7-17(28-12)16-10-14(13-4-2-3-5-15(13)21-16)19(24)27-11-18(23)22-8-9-26-20(22)25/h2-7,10H,8-9,11H2,1H3
InChIKeyNABDTFNHTJKPKJ-UHFFFAOYSA-N
XLogP2.94
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (CID 8751097) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCOC3=O)c3ccccc3n2)o1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The InChIKey is NABDTFNHTJKPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-12-6-7-17(28-12)16-10-14(13-4-2-3-5-15(13)21-16)19(24)27-11-18(23)22-8-9-26-20(22)25/h2-7,10H,8-9,11H2,1H3.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate has a molecular weight of 380.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 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-(5-methylfuran-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 8751097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).