6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one

C12H11F2NO2 — CID 43668344

IUPAC6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(OC(F)F)ccc2[nH]1
InChIInChI=1S/C12H11F2NO2/c1-2-7-5-11(16)9-6-8(17-12(13)14)3-4-10(9)15-7/h3-6,12H,2H2,1H3,(H,15,16)
InChIKeyMTLGYVMIFKJGNT-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.69
Rot. Bonds3

About 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one

6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one (PubChem CID 43668344) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one
PubChem CID43668344
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(OC(F)F)ccc2[nH]1
InChIInChI=1S/C12H11F2NO2/c1-2-7-5-11(16)9-6-8(17-12(13)14)3-4-10(9)15-7/h3-6,12H,2H2,1H3,(H,15,16)
InChIKeyMTLGYVMIFKJGNT-UHFFFAOYSA-N
XLogP2.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one?
The IUPAC name of 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one (CID 43668344) is 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one.
What is the SMILES notation for 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one?
The canonical SMILES for 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one is CCc1cc(=O)c2cc(OC(F)F)ccc2[nH]1.
What is the InChIKey of 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one?
The InChIKey is MTLGYVMIFKJGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-2-7-5-11(16)9-6-8(17-12(13)14)3-4-10(9)15-7/h3-6,12H,2H2,1H3,(H,15,16).
What are the key properties of 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one?
6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one has a molecular weight of 239.22 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one is sourced from PubChem (CID 43668344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).