2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine

C20H25F3N4O3S — CID 42954865

IUPAC2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)CC(C)O1
InChIInChI=1S/C20H25F3N4O3S/c1-14-12-27(13-15(2)30-14)31(28,29)26-9-7-25(8-10-26)18-11-19(20(21,22)23)24-17-6-4-3-5-16(17)18/h3-6,11,14-15H,7-10,12-13H2,1-2H3
InChIKeyKBRCUGZOAFMHLW-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.73
Rot. Bonds3

About 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine

2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine (PubChem CID 42954865) has the molecular formula C20H25F3N4O3S and a molecular weight of 458.51 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine
PubChem CID42954865
Molecular FormulaC20H25F3N4O3S
Molecular Weight458.51 g/mol
Exact Mass458.16
IUPAC Name2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)CC(C)O1
InChIInChI=1S/C20H25F3N4O3S/c1-14-12-27(13-15(2)30-14)31(28,29)26-9-7-25(8-10-26)18-11-19(20(21,22)23)24-17-6-4-3-5-16(17)18/h3-6,11,14-15H,7-10,12-13H2,1-2H3
InChIKeyKBRCUGZOAFMHLW-UHFFFAOYSA-N
XLogP2.73
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822622
2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 42897711
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 34060541
2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
CID 56575476
tert-butyl (3S)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 166110445
3-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 55619945
(3,5-dichlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 2809481
(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 2822624
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55617707
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine (CID 42954865) is 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine is CC1CN(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine?
The InChIKey is KBRCUGZOAFMHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3S/c1-14-12-27(13-15(2)30-14)31(28,29)26-9-7-25(8-10-26)18-11-19(20(21,22)23)24-17-6-4-3-5-16(17)18/h3-6,11,14-15H,7-10,12-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine?
2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine has a molecular weight of 458.51 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 42954865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).