3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one

C12H14FNO — CID 126622094

IUPAC3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1C(=O)Nc2c(F)cccc2C1C
InChIInChI=1S/C12H14FNO/c1-3-8-7(2)9-5-4-6-10(13)11(9)14-12(8)15/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyFKFBUQVXLBTBQF-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.91
Rot. Bonds1

About 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one

3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126622094) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID126622094
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1C(=O)Nc2c(F)cccc2C1C
InChIInChI=1S/C12H14FNO/c1-3-8-7(2)9-5-4-6-10(13)11(9)14-12(8)15/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyFKFBUQVXLBTBQF-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one (CID 126622094) is 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one is CCC1C(=O)Nc2c(F)cccc2C1C.
What is the InChIKey of 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FKFBUQVXLBTBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-8-7(2)9-5-4-6-10(13)11(9)14-12(8)15/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one?
3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126622094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).