[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate

C16H15F3N2O3 — CID 35795704

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OCC(=O)NCC(F)(F)F)c2c1
InChIInChI=1S/C16H15F3N2O3/c1-9-3-4-13-11(5-9)12(6-10(2)21-13)15(23)24-7-14(22)20-8-16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,22)
InChIKeyBGBALUJDMXOYLX-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.69
Rot. Bonds4

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate (PubChem CID 35795704) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate
PubChem CID35795704
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OCC(=O)NCC(F)(F)F)c2c1
InChIInChI=1S/C16H15F3N2O3/c1-9-3-4-13-11(5-9)12(6-10(2)21-13)15(23)24-7-14(22)20-8-16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,22)
InChIKeyBGBALUJDMXOYLX-UHFFFAOYSA-N
XLogP2.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2092256
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2438459
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35778472
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] naphthalene-1-carboxylate
CID 2445194
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate
CID 1336825
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 31543502
[2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate
CID 1336836
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 845169
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648710
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate
CID 8577440

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate (CID 35795704) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate is Cc1ccc2nc(C)cc(C(=O)OCC(=O)NCC(F)(F)F)c2c1.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate?
The InChIKey is BGBALUJDMXOYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-9-3-4-13-11(5-9)12(6-10(2)21-13)15(23)24-7-14(22)20-8-16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,22).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate has a molecular weight of 340.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 35795704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).