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

C15H14F6N2O — CID 23648045

IUPAC7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C15H14F6N2O/c1-2-5-23(8-14(16,17)18)9-3-4-10-11(15(19,20)21)7-13(24)22-12(10)6-9/h3-4,6-7H,2,5,8H2,1H3,(H,22,24)
InChIKeyFGBGPAILFPJZLS-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.33
Rot. Bonds4

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

7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648045) has the molecular formula C15H14F6N2O and a molecular weight of 352.28 g/mol. Its IUPAC name is 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648045
Molecular FormulaC15H14F6N2O
Molecular Weight352.28 g/mol
Exact Mass352.10
IUPAC Name7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C15H14F6N2O/c1-2-5-23(8-14(16,17)18)9-3-4-10-11(15(19,20)21)7-13(24)22-12(10)6-9/h3-4,6-7H,2,5,8H2,1H3,(H,22,24)
InChIKeyFGBGPAILFPJZLS-UHFFFAOYSA-N
XLogP4.33
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648045) is 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is CCCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is FGBGPAILFPJZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N2O/c1-2-5-23(8-14(16,17)18)9-3-4-10-11(15(19,20)21)7-13(24)22-12(10)6-9/h3-4,6-7H,2,5,8H2,1H3,(H,22,24).
What are the key properties of 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 352.28 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).