6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one

C11H9BrFNO — CID 43668195

IUPAC6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(Br)cc(F)c2[nH]1
InChIInChI=1S/C11H9BrFNO/c1-2-7-5-10(15)8-3-6(12)4-9(13)11(8)14-7/h3-5H,2H2,1H3,(H,14,15)
InChIKeyMOFUTIFTAHPOMO-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.99
Rot. Bonds1

About 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one

6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one (PubChem CID 43668195) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one
PubChem CID43668195
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(Br)cc(F)c2[nH]1
InChIInChI=1S/C11H9BrFNO/c1-2-7-5-10(15)8-3-6(12)4-9(13)11(8)14-7/h3-5H,2H2,1H3,(H,14,15)
InChIKeyMOFUTIFTAHPOMO-UHFFFAOYSA-N
XLogP2.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one (CID 43668195) is 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one is CCc1cc(=O)c2cc(Br)cc(F)c2[nH]1.
What is the InChIKey of 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one?
The InChIKey is MOFUTIFTAHPOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-2-7-5-10(15)8-3-6(12)4-9(13)11(8)14-7/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one?
6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one has a molecular weight of 270.10 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 43668195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).