6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

C11H8FNO4 — CID 23135878

IUPAC6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc(F)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H8FNO4/c1-17-8-3-5(12)2-6-9(8)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyPEFUMMKOQQLOAO-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.37
Rot. Bonds2

About 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 23135878) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID23135878
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc(F)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H8FNO4/c1-17-8-3-5(12)2-6-9(8)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyPEFUMMKOQQLOAO-UHFFFAOYSA-N
XLogP1.37
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 23135878) is 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is COc1cc(F)cc2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is PEFUMMKOQQLOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c1-17-8-3-5(12)2-6-9(8)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 23135878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).