6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

C17H18F6N2O — CID 23648051

IUPAC6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C17H18F6N2O/c1-15(2,3)8-25(9-16(18,19)20)10-4-5-13-11(6-10)12(17(21,22)23)7-14(26)24-13/h4-7H,8-9H2,1-3H3,(H,24,26)
InChIKeySSCNATXKRJIYOP-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.96
Rot. Bonds3

About 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648051) has the molecular formula C17H18F6N2O and a molecular weight of 380.33 g/mol. Its IUPAC name is 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648051
Molecular FormulaC17H18F6N2O
Molecular Weight380.33 g/mol
Exact Mass380.13
IUPAC Name6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C17H18F6N2O/c1-15(2,3)8-25(9-16(18,19)20)10-4-5-13-11(6-10)12(17(21,22)23)7-14(26)24-13/h4-7H,8-9H2,1-3H3,(H,24,26)
InChIKeySSCNATXKRJIYOP-UHFFFAOYSA-N
XLogP4.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648051) is 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is CC(C)(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is SSCNATXKRJIYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F6N2O/c1-15(2,3)8-25(9-16(18,19)20)10-4-5-13-11(6-10)12(17(21,22)23)7-14(26)24-13/h4-7H,8-9H2,1-3H3,(H,24,26).
What are the key properties of 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 380.33 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).