2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid

C13H12FNO3 — CID 123482743

IUPAC2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid
SMILESCCc1nc2ccc(F)cc2c(C(=O)O)c1OC
InChIInChI=1S/C13H12FNO3/c1-3-9-12(18-2)11(13(16)17)8-6-7(14)4-5-10(8)15-9/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyRFVNNLFHBWAYJS-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.64
Rot. Bonds3

About 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid

2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid (PubChem CID 123482743) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid
PubChem CID123482743
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid
SMILESCCc1nc2ccc(F)cc2c(C(=O)O)c1OC
InChIInChI=1S/C13H12FNO3/c1-3-9-12(18-2)11(13(16)17)8-6-7(14)4-5-10(8)15-9/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyRFVNNLFHBWAYJS-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid (CID 123482743) is 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid is CCc1nc2ccc(F)cc2c(C(=O)O)c1OC.
What is the InChIKey of 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid?
The InChIKey is RFVNNLFHBWAYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-3-9-12(18-2)11(13(16)17)8-6-7(14)4-5-10(8)15-9/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid?
2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 123482743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).