2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

C14H12F3NO2 — CID 63357998

IUPAC2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2ccc(OCC(F)(F)F)cc12
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)7-20-9-3-4-11-10(5-9)13(19)6-12(18-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,18,19)
InChIKeyGRSOXZBHBTZOOW-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.35
Rot. Bonds3

About 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (PubChem CID 63357998) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
PubChem CID63357998
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2ccc(OCC(F)(F)F)cc12
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)7-20-9-3-4-11-10(5-9)13(19)6-12(18-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,18,19)
InChIKeyGRSOXZBHBTZOOW-UHFFFAOYSA-N
XLogP3.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The IUPAC name of 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (CID 63357998) is 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The canonical SMILES for 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is O=c1cc(C2CC2)[nH]c2ccc(OCC(F)(F)F)cc12.
What is the InChIKey of 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The InChIKey is GRSOXZBHBTZOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)7-20-9-3-4-11-10(5-9)13(19)6-12(18-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,18,19).
What are the key properties of 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one has a molecular weight of 283.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 63357998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).