1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

C13H15NO4 — CID 102711328

IUPAC1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCOCCN1C(=O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C13H15NO4/c1-18-7-6-14-11-4-2-10(13(16)17)8-9(11)3-5-12(14)15/h2,4,8H,3,5-7H2,1H3,(H,16,17)
InChIKeyYTXWOMMFYBOHSX-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.31
Rot. Bonds4

About 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 102711328) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID102711328
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCOCCN1C(=O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C13H15NO4/c1-18-7-6-14-11-4-2-10(13(16)17)8-9(11)3-5-12(14)15/h2,4,8H,3,5-7H2,1H3,(H,16,17)
InChIKeyYTXWOMMFYBOHSX-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (CID 102711328) is 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is COCCN1C(=O)CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is YTXWOMMFYBOHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-18-7-6-14-11-4-2-10(13(16)17)8-9(11)3-5-12(14)15/h2,4,8H,3,5-7H2,1H3,(H,16,17).
What are the key properties of 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 102711328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).