ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate

C14H15NO4 — CID 54682436

IUPACethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
SMILESCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H15NO4/c1-3-19-12(16)8-10-13(17)9-6-4-5-7-11(9)15(2)14(10)18/h4-7,17H,3,8H2,1-2H3
InChIKeyZHXOJBOPFLKMCZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate

ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate (PubChem CID 54682436) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
PubChem CID54682436
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
SMILESCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H15NO4/c1-3-19-12(16)8-10-13(17)9-6-4-5-7-11(9)15(2)14(10)18/h4-7,17H,3,8H2,1-2H3
InChIKeyZHXOJBOPFLKMCZ-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate (CID 54682436) is ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate is CCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The InChIKey is ZHXOJBOPFLKMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-19-12(16)8-10-13(17)9-6-4-5-7-11(9)15(2)14(10)18/h4-7,17H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate is sourced from PubChem (CID 54682436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).