2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

C15H14F3NO3 — CID 70376899

IUPAC2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESC=CCOc1c(C)[nH]c2cc(OCC(F)(F)F)ccc2c1=O
InChIInChI=1S/C15H14F3NO3/c1-3-6-21-14-9(2)19-12-7-10(22-8-15(16,17)18)4-5-11(12)13(14)20/h3-5,7H,1,6,8H2,2H3,(H,19,20)
InChIKeyJDXUUBLEVCOAKA-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (PubChem CID 70376899) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
PubChem CID70376899
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Name2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESC=CCOc1c(C)[nH]c2cc(OCC(F)(F)F)ccc2c1=O
InChIInChI=1S/C15H14F3NO3/c1-3-6-21-14-9(2)19-12-7-10(22-8-15(16,17)18)4-5-11(12)13(14)20/h3-5,7H,1,6,8H2,2H3,(H,19,20)
InChIKeyJDXUUBLEVCOAKA-UHFFFAOYSA-N
XLogP3.34
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 60999159
2-methyl-3-methylsulfonyl-7-(trifluoromethoxy)-1H-quinolin-4-one
CID 67946471
2-prop-2-enoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035279
1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 175665868
N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 167499874
N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide
CID 20647479
2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 63357998
2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 54890999
2-iodo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 156598259
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615
7-ethoxy-4-methyl-1H-quinolin-2-one
CID 121226556
[dimethyl-(4-prop-2-enoxyphenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 162405292

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (CID 70376899) is 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is C=CCOc1c(C)[nH]c2cc(OCC(F)(F)F)ccc2c1=O.
What is the InChIKey of 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The InChIKey is JDXUUBLEVCOAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-3-6-21-14-9(2)19-12-7-10(22-8-15(16,17)18)4-5-11(12)13(14)20/h3-5,7H,1,6,8H2,2H3,(H,19,20).
What are the key properties of 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one has a molecular weight of 313.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enoxy-7-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 70376899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).