6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one

C16H17F3N2O4S — CID 22055340

IUPAC6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)CC(C)O1
InChIInChI=1S/C16H17F3N2O4S/c1-9-7-21(8-10(2)25-9)26(23,24)11-3-4-14-12(5-11)13(16(17,18)19)6-15(22)20-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)
InChIKeyNJKKYFLMVXJISH-UHFFFAOYSA-N
MW390.38 g/mol
LogP2.34
Rot. Bonds2

About 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one

6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22055340) has the molecular formula C16H17F3N2O4S and a molecular weight of 390.38 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22055340
Molecular FormulaC16H17F3N2O4S
Molecular Weight390.38 g/mol
Exact Mass390.09
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)CC(C)O1
InChIInChI=1S/C16H17F3N2O4S/c1-9-7-21(8-10(2)25-9)26(23,24)11-3-4-14-12(5-11)13(16(17,18)19)6-15(22)20-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)
InChIKeyNJKKYFLMVXJISH-UHFFFAOYSA-N
XLogP2.34
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55627740
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055302
6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10072453
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
(3-amino-3-oxopropyl) 2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonate
CID 87928102
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
CID 7432384
4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
CID 149346410
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
6-[(2S,5S)-2,5-dipropylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 141035214

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22055340) is 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one is CC1CN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is NJKKYFLMVXJISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4S/c1-9-7-21(8-10(2)25-9)26(23,24)11-3-4-14-12(5-11)13(16(17,18)19)6-15(22)20-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,22).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 390.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22055340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).