6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one

C14H15F3N2O — CID 63180257

IUPAC6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCCN(CC)c1ccc2[nH]c(C(F)(F)F)cc(=O)c2c1
InChIInChI=1S/C14H15F3N2O/c1-3-19(4-2)9-5-6-11-10(7-9)12(20)8-13(18-11)14(15,16)17/h5-8H,3-4H2,1-2H3,(H,18,20)
InChIKeyRKSWGJHZVZBCNZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.39
Rot. Bonds3

About 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one

6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 63180257) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID63180257
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCCN(CC)c1ccc2[nH]c(C(F)(F)F)cc(=O)c2c1
InChIInChI=1S/C14H15F3N2O/c1-3-19(4-2)9-5-6-11-10(7-9)12(20)8-13(18-11)14(15,16)17/h5-8H,3-4H2,1-2H3,(H,18,20)
InChIKeyRKSWGJHZVZBCNZ-UHFFFAOYSA-N
XLogP3.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(diethylamino)-1H-quinolin-4-one
CID 63180418
[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4250011
7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2736610
6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one
CID 22279076
3-bromo-6-(diethylamino)-1H-quinolin-4-one
CID 114759474
5-chloro-6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2773787
6-methyl-2-(trichloromethyl)-1H-quinolin-4-one
CID 121220814
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
CID 4250199
2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one
CID 162537419
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile
CID 82241708
7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one
CID 175497179

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one (CID 63180257) is 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one is CCN(CC)c1ccc2[nH]c(C(F)(F)F)cc(=O)c2c1.
What is the InChIKey of 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is RKSWGJHZVZBCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-3-19(4-2)9-5-6-11-10(7-9)12(20)8-13(18-11)14(15,16)17/h5-8H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one?
6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 284.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 63180257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).