6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one

C22H21F3N2O3S — CID 10072453

IUPAC6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2[nH]1
InChIInChI=1S/C22H21F3N2O3S/c23-22(24,25)19-14-21(28)26-20-9-6-16(13-18(19)20)12-15-4-7-17(8-5-15)31(29,30)27-10-2-1-3-11-27/h4-9,13-14H,1-3,10-12H2,(H,26,28)
InChIKeyYTSNEMINRNGOET-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.31
Rot. Bonds4

About 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 10072453) has the molecular formula C22H21F3N2O3S and a molecular weight of 450.48 g/mol. Its IUPAC name is 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID10072453
Molecular FormulaC22H21F3N2O3S
Molecular Weight450.48 g/mol
Exact Mass450.12
IUPAC Name6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2[nH]1
InChIInChI=1S/C22H21F3N2O3S/c23-22(24,25)19-14-21(28)26-20-9-6-16(13-18(19)20)12-15-4-7-17(8-5-15)31(29,30)27-10-2-1-3-11-27/h4-9,13-14H,1-3,10-12H2,(H,26,28)
InChIKeyYTSNEMINRNGOET-UHFFFAOYSA-N
XLogP4.31
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11477520
N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11318086
ethyl 3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexane-1-carboxylate
CID 21028283
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055340
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055302
4-[[4-(1,1-difluoroethyl)-2-oxo-1H-quinolin-6-yl]methyl]benzaldehyde
CID 142967265
6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one
CID 10368556
6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one
CID 173231419
N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238919
4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
CID 149346410
6-(azepan-1-ylsulfonyl)-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427070
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418

Frequently Asked Questions

What is the IUPAC name of 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 10072453) is 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2[nH]1.
What is the InChIKey of 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is YTSNEMINRNGOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3S/c23-22(24,25)19-14-21(28)26-20-9-6-16(13-18(19)20)12-15-4-7-17(8-5-15)31(29,30)27-10-2-1-3-11-27/h4-9,13-14H,1-3,10-12H2,(H,26,28).
What are the key properties of 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 450.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 10072453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).