ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate

C14H15NO4 — CID 67695451

IUPACethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)=CC(=O)C(OCC)N=2
InChIInChI=1S/C14H15NO4/c1-3-18-13-12(16)8-10-7-9(14(17)19-4-2)5-6-11(10)15-13/h5-8,13H,3-4H2,1-2H3
InChIKeyNVQYOFBHRVMCTO-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.21
Rot. Bonds4

About ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate

ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate (PubChem CID 67695451) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate
PubChem CID67695451
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)=CC(=O)C(OCC)N=2
InChIInChI=1S/C14H15NO4/c1-3-18-13-12(16)8-10-7-9(14(17)19-4-2)5-6-11(10)15-13/h5-8,13H,3-4H2,1-2H3
InChIKeyNVQYOFBHRVMCTO-UHFFFAOYSA-N
XLogP0.21
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate?
The IUPAC name of ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate (CID 67695451) is ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate is CCOC(=O)c1ccc2c(c1)=CC(=O)C(OCC)N=2.
What is the InChIKey of ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate?
The InChIKey is NVQYOFBHRVMCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-18-13-12(16)8-10-7-9(14(17)19-4-2)5-6-11(10)15-13/h5-8,13H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate?
ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-oxo-2H-quinoline-6-carboxylate is sourced from PubChem (CID 67695451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).