8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid

C12H11NO4 — CID 721183

IUPAC8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCCOc1cccc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C12H11NO4/c1-2-17-9-5-3-4-7-10(9)13-6-8(11(7)14)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyQCWQXUIPKUUXKJ-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.62
Rot. Bonds3

About 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid

8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 721183) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID721183
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCCOc1cccc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C12H11NO4/c1-2-17-9-5-3-4-7-10(9)13-6-8(11(7)14)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyQCWQXUIPKUUXKJ-UHFFFAOYSA-N
XLogP1.62
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 721183) is 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid is CCOc1cccc2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is QCWQXUIPKUUXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-2-17-9-5-3-4-7-10(9)13-6-8(11(7)14)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 721183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).