ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C12H11NO4 — CID 54684458

IUPACethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyLGLPFJDOUVCBNP-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.41
Rot. Bonds2

About ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 54684458) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID54684458
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Nameethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyLGLPFJDOUVCBNP-UHFFFAOYSA-N
XLogP1.41
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 54684458) is ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is LGLPFJDOUVCBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h3-6H,2H2,1H3,(H2,13,14,15).
What are the key properties of ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 54684458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).