ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate

C13H13NO4 — CID 54682929

IUPACethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)14(2)12(10)16/h4-7,15H,3H2,1-2H3
InChIKeyIGIHLDXSSGANGR-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.42
Rot. Bonds2

About ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate

ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 54682929) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
PubChem CID54682929
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)14(2)12(10)16/h4-7,15H,3H2,1-2H3
InChIKeyIGIHLDXSSGANGR-UHFFFAOYSA-N
XLogP1.42
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate (CID 54682929) is ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is IGIHLDXSSGANGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)14(2)12(10)16/h4-7,15H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 54682929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).