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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).