1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone

C19H20N2O3S — CID 90655202

IUPAC1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone
SMILESCC(=O)N1c2ccccc2Sc2ccc(C3(O)CN(C)CCO3)cc21
InChIInChI=1S/C19H20N2O3S/c1-13(22)21-15-5-3-4-6-17(15)25-18-8-7-14(11-16(18)21)19(23)12-20(2)9-10-24-19/h3-8,11,23H,9-10,12H2,1-2H3
InChIKeyGJJOJGCFEWDZKW-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.94
Rot. Bonds1

About 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone

1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone (PubChem CID 90655202) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone
PubChem CID90655202
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone
SMILESCC(=O)N1c2ccccc2Sc2ccc(C3(O)CN(C)CCO3)cc21
InChIInChI=1S/C19H20N2O3S/c1-13(22)21-15-5-3-4-6-17(15)25-18-8-7-14(11-16(18)21)19(23)12-20(2)9-10-24-19/h3-8,11,23H,9-10,12H2,1-2H3
InChIKeyGJJOJGCFEWDZKW-UHFFFAOYSA-N
XLogP2.94
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone?
The IUPAC name of 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone (CID 90655202) is 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone is CC(=O)N1c2ccccc2Sc2ccc(C3(O)CN(C)CCO3)cc21.
What is the InChIKey of 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone?
The InChIKey is GJJOJGCFEWDZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13(22)21-15-5-3-4-6-17(15)25-18-8-7-14(11-16(18)21)19(23)12-20(2)9-10-24-19/h3-8,11,23H,9-10,12H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone?
1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone has a molecular weight of 356.45 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-4-methylmorpholin-2-yl)phenothiazin-10-yl]ethanone is sourced from PubChem (CID 90655202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).