3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C23H19F3N2O2 — CID 7598862

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=C(c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O)N1CCCc2ccccc21
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)18-9-3-6-16(14-18)15-27-12-5-10-19(21(27)29)22(30)28-13-4-8-17-7-1-2-11-20(17)28/h1-3,5-7,9-12,14H,4,8,13,15H2
InChIKeyKXDDRGHPBKTRRV-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.51
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 7598862) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID7598862
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=C(c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O)N1CCCc2ccccc21
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)18-9-3-6-16(14-18)15-27-12-5-10-19(21(27)29)22(30)28-13-4-8-17-7-1-2-11-20(17)28/h1-3,5-7,9-12,14H,4,8,13,15H2
InChIKeyKXDDRGHPBKTRRV-UHFFFAOYSA-N
XLogP4.51
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one
CID 7598708
N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 7598829
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
1-(2,3-dihydroindol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanone
CID 134017012
1-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]-1-phenylthiourea
CID 20850313
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111267082
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 7598862) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=C(c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is KXDDRGHPBKTRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c24-23(25,26)18-9-3-6-16(14-18)15-27-12-5-10-19(21(27)29)22(30)28-13-4-8-17-7-1-2-11-20(17)28/h1-3,5-7,9-12,14H,4,8,13,15H2.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 412.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 7598862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).