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

C14H15NO4 — CID 54680568

IUPACethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccccc2n(CC)c1=O
InChIInChI=1S/C14H15NO4/c1-3-15-10-8-6-5-7-9(10)12(16)11(13(15)17)14(18)19-4-2/h5-8,16H,3-4H2,1-2H3
InChIKeyGRZFSZJGKIUBQW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.90
Rot. Bonds3

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

ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate (PubChem CID 54680568) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate
PubChem CID54680568
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccccc2n(CC)c1=O
InChIInChI=1S/C14H15NO4/c1-3-15-10-8-6-5-7-9(10)12(16)11(13(15)17)14(18)19-4-2/h5-8,16H,3-4H2,1-2H3
InChIKeyGRZFSZJGKIUBQW-UHFFFAOYSA-N
XLogP1.90
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate (CID 54680568) is ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(O)c2ccccc2n(CC)c1=O.
What is the InChIKey of ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The InChIKey is GRZFSZJGKIUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-15-10-8-6-5-7-9(10)12(16)11(13(15)17)14(18)19-4-2/h5-8,16H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 54680568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).