methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate

C13H13NO4 — CID 102614575

IUPACmethyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOc1ccc2[nH]cc(C(=O)OC)c(=O)c2c1
InChIInChI=1S/C13H13NO4/c1-3-18-8-4-5-11-9(6-8)12(15)10(7-14-11)13(16)17-2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyCVYUEANXRAIZOC-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.71
Rot. Bonds3

About methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate

methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 102614575) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID102614575
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOc1ccc2[nH]cc(C(=O)OC)c(=O)c2c1
InChIInChI=1S/C13H13NO4/c1-3-18-8-4-5-11-9(6-8)12(15)10(7-14-11)13(16)17-2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyCVYUEANXRAIZOC-UHFFFAOYSA-N
XLogP1.71
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate (CID 102614575) is methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate is CCOc1ccc2[nH]cc(C(=O)OC)c(=O)c2c1.
What is the InChIKey of methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is CVYUEANXRAIZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-18-8-4-5-11-9(6-8)12(15)10(7-14-11)13(16)17-2/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate?
methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 102614575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).