(2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate

C14H13NO5 — CID 150002820

IUPAC(2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)COC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H13NO5/c1-2-19-12(16)8-20-14(18)10-7-9-5-3-4-6-11(9)15-13(10)17/h3-7H,2,8H2,1H3,(H,15,17)
InChIKeyDBQUBZHSWXBQRJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.25
Rot. Bonds4

About (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate

(2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate (PubChem CID 150002820) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate
PubChem CID150002820
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name(2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)COC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H13NO5/c1-2-19-12(16)8-20-14(18)10-7-9-5-3-4-6-11(9)15-13(10)17/h3-7H,2,8H2,1H3,(H,15,17)
InChIKeyDBQUBZHSWXBQRJ-UHFFFAOYSA-N
XLogP1.25
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate (CID 150002820) is (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)COC(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is DBQUBZHSWXBQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-2-19-12(16)8-20-14(18)10-7-9-5-3-4-6-11(9)15-13(10)17/h3-7H,2,8H2,1H3,(H,15,17).
What are the key properties of (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate?
(2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 150002820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).