5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one

C17H14BrF3N2O2 — CID 55639789

IUPAC5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H14BrF3N2O2/c18-13-4-6-15(24)22(9-13)10-16(25)23-7-1-2-11-8-12(17(19,20)21)3-5-14(11)23/h3-6,8-9H,1-2,7,10H2
InChIKeyIEEAGYYNJUAADC-UHFFFAOYSA-N
MW415.21 g/mol
LogP3.61
Rot. Bonds2

About 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one

5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one (PubChem CID 55639789) has the molecular formula C17H14BrF3N2O2 and a molecular weight of 415.21 g/mol. Its IUPAC name is 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one
PubChem CID55639789
Molecular FormulaC17H14BrF3N2O2
Molecular Weight415.21 g/mol
Exact Mass414.02
IUPAC Name5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H14BrF3N2O2/c18-13-4-6-15(24)22(9-13)10-16(25)23-7-1-2-11-8-12(17(19,20)21)3-5-14(11)23/h3-6,8-9H,1-2,7,10H2
InChIKeyIEEAGYYNJUAADC-UHFFFAOYSA-N
XLogP3.61
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one with MolForge

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 9114915
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 39958651
1-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(triazol-1-yl)ethanone
CID 75440635
2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one
CID 55581425
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505336
1-[[4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 31843433
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60538172
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
oxan-4-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 52572016
5-bromo-1-[2-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 126815764

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one (CID 55639789) is 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one?
The InChIKey is IEEAGYYNJUAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O2/c18-13-4-6-15(24)22(9-13)10-16(25)23-7-1-2-11-8-12(17(19,20)21)3-5-14(11)23/h3-6,8-9H,1-2,7,10H2.
What are the key properties of 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one?
5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one has a molecular weight of 415.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 55639789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).