6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C14H12F6N2O — CID 22279155

IUPAC6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(F)(F)F
InChIInChI=1S/C14H12F6N2O/c1-2-7-3-8-9(14(18,19)20)4-12(23)22-11(8)5-10(7)21-6-13(15,16)17/h3-5,21H,2,6H2,1H3,(H,22,23)
InChIKeyAHDSMLCEPLKIHZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.08
Rot. Bonds3

About 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279155) has the molecular formula C14H12F6N2O and a molecular weight of 338.25 g/mol. Its IUPAC name is 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279155
Molecular FormulaC14H12F6N2O
Molecular Weight338.25 g/mol
Exact Mass338.09
IUPAC Name6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(F)(F)F
InChIInChI=1S/C14H12F6N2O/c1-2-7-3-8-9(14(18,19)20)4-12(23)22-11(8)5-10(7)21-6-13(15,16)17/h3-5,21H,2,6H2,1H3,(H,22,23)
InChIKeyAHDSMLCEPLKIHZ-UHFFFAOYSA-N
XLogP4.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279155) is 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(F)(F)F.
What is the InChIKey of 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is AHDSMLCEPLKIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O/c1-2-7-3-8-9(14(18,19)20)4-12(23)22-11(8)5-10(7)21-6-13(15,16)17/h3-5,21H,2,6H2,1H3,(H,22,23).
What are the key properties of 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 338.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).