7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

C14H12F6N2O — CID 23648044

IUPAC7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C14H12F6N2O/c1-2-22(7-13(15,16)17)8-3-4-9-10(14(18,19)20)6-12(23)21-11(9)5-8/h3-6H,2,7H2,1H3,(H,21,23)
InChIKeyIFKQXZGNHOOIJT-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.94
Rot. Bonds3

About 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648044) has the molecular formula C14H12F6N2O and a molecular weight of 338.25 g/mol. Its IUPAC name is 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648044
Molecular FormulaC14H12F6N2O
Molecular Weight338.25 g/mol
Exact Mass338.09
IUPAC Name7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C14H12F6N2O/c1-2-22(7-13(15,16)17)8-3-4-9-10(14(18,19)20)6-12(23)21-11(9)5-8/h3-6H,2,7H2,1H3,(H,21,23)
InChIKeyIFKQXZGNHOOIJT-UHFFFAOYSA-N
XLogP3.94
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648044) is 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is CCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is IFKQXZGNHOOIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O/c1-2-22(7-13(15,16)17)8-3-4-9-10(14(18,19)20)6-12(23)21-11(9)5-8/h3-6H,2,7H2,1H3,(H,21,23).
What are the key properties of 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 338.25 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).