6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

C18H18F6N2O2 — CID 87528638

IUPAC6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC1CCCC([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C18H18F6N2O2/c1-9-3-2-4-14(16(28)18(22,23)24)26(9)10-5-6-13-11(7-10)12(17(19,20)21)8-15(27)25-13/h5-9,14,16,28H,2-4H2,1H3,(H,25,27)/t9?,14?,16-/m1/s1
InChIKeyAHTKLXHCUXFYKD-PJFWKBENSA-N
MW408.34 g/mol
LogP4.22
Rot. Bonds2

About 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 87528638) has the molecular formula C18H18F6N2O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID87528638
Molecular FormulaC18H18F6N2O2
Molecular Weight408.34 g/mol
Exact Mass408.13
IUPAC Name6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC1CCCC([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C18H18F6N2O2/c1-9-3-2-4-14(16(28)18(22,23)24)26(9)10-5-6-13-11(7-10)12(17(19,20)21)8-15(27)25-13/h5-9,14,16,28H,2-4H2,1H3,(H,25,27)/t9?,14?,16-/m1/s1
InChIKeyAHTKLXHCUXFYKD-PJFWKBENSA-N
XLogP4.22
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(2S,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87467043
6-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 20587850
6-[(2S,5R)-2-phenyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87467163
6-[(2R,5R)-2-phenyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87465361
6-[(2R)-4-hydroxy-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 174505960
6-[(2S,5S)-2,5-dipropylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 141035214
6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 162602765
1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidine-2-carbaldehyde
CID 22279263
6-[2-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279088
methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate
CID 161184051
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10199303
2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide
CID 87289919

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 87528638) is 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is CC1CCCC([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is AHTKLXHCUXFYKD-PJFWKBENSA-N. The full InChI is InChI=1S/C18H18F6N2O2/c1-9-3-2-4-14(16(28)18(22,23)24)26(9)10-5-6-13-11(7-10)12(17(19,20)21)8-15(27)25-13/h5-9,14,16,28H,2-4H2,1H3,(H,25,27)/t9?,14?,16-/m1/s1.
What are the key properties of 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 408.34 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 87528638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).