4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid

C13H12FNO3 — CID 84633403

IUPAC4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)n(C)c2cc(F)ccc12
InChIInChI=1S/C13H12FNO3/c1-3-8-9-5-4-7(14)6-10(9)15(2)12(16)11(8)13(17)18/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyHUTHUGFZWQQDCS-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.94
Rot. Bonds2

About 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid

4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid (PubChem CID 84633403) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid
PubChem CID84633403
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)n(C)c2cc(F)ccc12
InChIInChI=1S/C13H12FNO3/c1-3-8-9-5-4-7(14)6-10(9)15(2)12(16)11(8)13(17)18/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyHUTHUGFZWQQDCS-UHFFFAOYSA-N
XLogP1.94
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid (CID 84633403) is 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid is CCc1c(C(=O)O)c(=O)n(C)c2cc(F)ccc12.
What is the InChIKey of 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid?
The InChIKey is HUTHUGFZWQQDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-3-8-9-5-4-7(14)6-10(9)15(2)12(16)11(8)13(17)18/h4-6H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid?
4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 84633403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).