1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone

C19H22N2O2S — CID 525234

IUPAC1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccc(O)cc1S2
InChIInChI=1S/C19H22N2O2S/c1-13(22)14-5-8-18-17(11-14)21(10-4-9-20(2)3)16-7-6-15(23)12-19(16)24-18/h5-8,11-12,23H,4,9-10H2,1-3H3
InChIKeyXBNCWGYWXQSESH-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.15
Rot. Bonds5

About 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone

1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone (PubChem CID 525234) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone
PubChem CID525234
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccc(O)cc1S2
InChIInChI=1S/C19H22N2O2S/c1-13(22)14-5-8-18-17(11-14)21(10-4-9-20(2)3)16-7-6-15(23)12-19(16)24-18/h5-8,11-12,23H,4,9-10H2,1-3H3
InChIKeyXBNCWGYWXQSESH-UHFFFAOYSA-N
XLogP4.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone?
The IUPAC name of 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone (CID 525234) is 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone.
What is the SMILES notation for 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone?
The canonical SMILES for 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone is CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccc(O)cc1S2.
What is the InChIKey of 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone?
The InChIKey is XBNCWGYWXQSESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13(22)14-5-8-18-17(11-14)21(10-4-9-20(2)3)16-7-6-15(23)12-19(16)24-18/h5-8,11-12,23H,4,9-10H2,1-3H3.
What are the key properties of 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone?
1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone has a molecular weight of 342.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[3-(dimethylamino)propyl]-7-hydroxyphenothiazin-2-yl]ethanone is sourced from PubChem (CID 525234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).