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

C21H19F3N2O2 — CID 113188578

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2C(F)(F)F)C1)N1CCCc2ccccc21
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)16-8-2-4-10-18(16)26-13-15(12-19(26)27)20(28)25-11-5-7-14-6-1-3-9-17(14)25/h1-4,6,8-10,15H,5,7,11-13H2
InChIKeyWGCAJACNYWWTPC-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.04
Rot. Bonds2

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 113188578) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID113188578
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2C(F)(F)F)C1)N1CCCc2ccccc21
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)16-8-2-4-10-18(16)26-13-15(12-19(26)27)20(28)25-11-5-7-14-6-1-3-9-17(14)25/h1-4,6,8-10,15H,5,7,11-13H2
InChIKeyWGCAJACNYWWTPC-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 113190991
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188614
4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188524
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
CID 97040954
4-(2-ethylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188568
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
N-cycloheptyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188564
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 113182980
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 113188578) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2C(F)(F)F)C1)N1CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is WGCAJACNYWWTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)16-8-2-4-10-18(16)26-13-15(12-19(26)27)20(28)25-11-5-7-14-6-1-3-9-17(14)25/h1-4,6,8-10,15H,5,7,11-13H2.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 388.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 113188578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).