3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

C14H14F3NO2 — CID 60999160

IUPAC3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2c(OCC(F)(F)F)cccc2c1=O
InChIInChI=1S/C14H14F3NO2/c1-3-9-8(2)18-12-10(13(9)19)5-4-6-11(12)20-7-14(15,16)17/h4-6H,3,7H2,1-2H3,(H,18,19)
InChIKeyYNDRMRPDPUIRJR-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.34
Rot. Bonds3

About 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (PubChem CID 60999160) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
PubChem CID60999160
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2c(OCC(F)(F)F)cccc2c1=O
InChIInChI=1S/C14H14F3NO2/c1-3-9-8(2)18-12-10(13(9)19)5-4-6-11(12)20-7-14(15,16)17/h4-6H,3,7H2,1-2H3,(H,18,19)
InChIKeyYNDRMRPDPUIRJR-UHFFFAOYSA-N
XLogP3.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The IUPAC name of 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (CID 60999160) is 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The canonical SMILES for 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is CCc1c(C)[nH]c2c(OCC(F)(F)F)cccc2c1=O.
What is the InChIKey of 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The InChIKey is YNDRMRPDPUIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-3-9-8(2)18-12-10(13(9)19)5-4-6-11(12)20-7-14(15,16)17/h4-6H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one has a molecular weight of 285.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 60999160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).