(5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

C18H15NO6 — CID 952078

IUPAC(5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1ccc(COC(=O)c2cc(=O)[nH]c3ccccc23)o1
InChIInChI=1S/C18H15NO6/c1-2-23-18(22)15-8-7-11(25-15)10-24-17(21)13-9-16(20)19-14-6-4-3-5-12(13)14/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyZVYHCWDPPFDSGR-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.65
Rot. Bonds5

About (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

(5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 952078) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID952078
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name(5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1ccc(COC(=O)c2cc(=O)[nH]c3ccccc23)o1
InChIInChI=1S/C18H15NO6/c1-2-23-18(22)15-8-7-11(25-15)10-24-17(21)13-9-16(20)19-14-6-4-3-5-12(13)14/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyZVYHCWDPPFDSGR-UHFFFAOYSA-N
XLogP2.65
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 952078) is (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is CCOC(=O)c1ccc(COC(=O)c2cc(=O)[nH]c3ccccc23)o1.
What is the InChIKey of (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is ZVYHCWDPPFDSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6/c1-2-23-18(22)15-8-7-11(25-15)10-24-17(21)13-9-16(20)19-14-6-4-3-5-12(13)14/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 341.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxycarbonylfuran-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 952078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).