6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one

C21H19F3N2O — CID 22279298

IUPAC6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N3CCCC3Cc3ccccc3)ccc2[nH]1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)18-13-20(27)25-19-9-8-16(12-17(18)19)26-10-4-7-15(26)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,25,27)
InChIKeyGLCVDUYJTXQMCG-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.76
Rot. Bonds3

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

6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279298) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279298
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N3CCCC3Cc3ccccc3)ccc2[nH]1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)18-13-20(27)25-19-9-8-16(12-17(18)19)26-10-4-7-15(26)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,25,27)
InChIKeyGLCVDUYJTXQMCG-UHFFFAOYSA-N
XLogP4.76
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Lgd 2226
CID 11560224
6-[Bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9820051
6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9884851
6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9927792
6-[Bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-dihydroquinolin-2-one
CID 22279296
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
Iferanserin
CID 6445539
6-[(2,2-Difluoroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9885897
6-[(2-Chloroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9951393
6-[Bis(2,2,2-trifluoroethyl)amino]-1,2-dihydroquinolin-2-one
CID 23644730
6-[(2-Chloro-2,2-difluoroethyl)(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648048
6-[Bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648061

Frequently Asked Questions

What is the IUPAC name of 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279298) is 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(N3CCCC3Cc3ccccc3)ccc2[nH]1.
What is the InChIKey of 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is GLCVDUYJTXQMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c22-21(23,24)18-13-20(27)25-19-9-8-16(12-17(18)19)26-10-4-7-15(26)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,25,27).
What are the key properties of 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 372.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzylpyrrolidin-1-yl)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).