2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride

C19H18ClF3N2O2S — CID 43834407

IUPAC2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride
SMILESO=C(C[NH+]1CCOCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21.[Cl-]
InChIInChI=1S/C19H17F3N2O2S.ClH/c20-19(21,22)13-5-6-17-15(11-13)24(14-3-1-2-4-16(14)27-17)18(25)12-23-7-9-26-10-8-23;/h1-6,11H,7-10,12H2;1H
InChIKeyUMGHBNLMPSTVLF-UHFFFAOYSA-N
MW430.88 g/mol
LogP-0.25
Rot. Bonds2

About 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride

2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride (PubChem CID 43834407) has the molecular formula C19H18ClF3N2O2S and a molecular weight of 430.88 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride
PubChem CID43834407
Molecular FormulaC19H18ClF3N2O2S
Molecular Weight430.88 g/mol
Exact Mass430.07
IUPAC Name2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride
SMILESO=C(C[NH+]1CCOCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21.[Cl-]
InChIInChI=1S/C19H17F3N2O2S.ClH/c20-19(21,22)13-5-6-17-15(11-13)24(14-3-1-2-4-16(14)27-17)18(25)12-23-7-9-26-10-8-23;/h1-6,11H,7-10,12H2;1H
InChIKeyUMGHBNLMPSTVLF-UHFFFAOYSA-N
XLogP-0.25
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypiperidin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 5181005
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
CID 154359839
3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
CID 146050838
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 44658220
1-phenothiazin-10-yl-2-pyrrolidin-1-ium-1-ylethanone
CID 6955810
diethyl-[3-oxo-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium chloride
CID 43834220
1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride
CID 43834134
[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl] nitrate
CID 90480433
2-(4-hydroxypiperidin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 1114039
3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;dihydrochloride
CID 2834211
3-phenyl-1-[2-(trifluoromethyl)phenothiazin-10-yl]prop-2-en-1-one
CID 2857001
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone
CID 599640

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride?
The IUPAC name of 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride (CID 43834407) is 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride?
The canonical SMILES for 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride is O=C(C[NH+]1CCOCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21.[Cl-].
What is the InChIKey of 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride?
The InChIKey is UMGHBNLMPSTVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S.ClH/c20-19(21,22)13-5-6-17-15(11-13)24(14-3-1-2-4-16(14)27-17)18(25)12-23-7-9-26-10-8-23;/h1-6,11H,7-10,12H2;1H.
What are the key properties of 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride?
2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride has a molecular weight of 430.88 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride is sourced from PubChem (CID 43834407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).