1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride

C17H18Cl2N2OS — CID 2834218

IUPAC1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C17H17ClN2OS.ClH/c1-19(2)10-9-17(21)20-13-5-3-4-6-15(13)22-16-8-7-12(18)11-14(16)20;/h3-8,11H,9-10H2,1-2H3;1H
InChIKeyWSYSENVXZMRALD-UHFFFAOYSA-N
MW369.32 g/mol
LogP4.84
Rot. Bonds3

About 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride

1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride (PubChem CID 2834218) has the molecular formula C17H18Cl2N2OS and a molecular weight of 369.32 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride
PubChem CID2834218
Molecular FormulaC17H18Cl2N2OS
Molecular Weight369.32 g/mol
Exact Mass368.05
IUPAC Name1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C17H17ClN2OS.ClH/c1-19(2)10-9-17(21)20-13-5-3-4-6-15(13)22-16-8-7-12(18)11-14(16)20;/h3-8,11H,9-10H2,1-2H3;1H
InChIKeyWSYSENVXZMRALD-UHFFFAOYSA-N
XLogP4.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride (CID 2834218) is 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride is CN(C)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.Cl.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride?
The InChIKey is WSYSENVXZMRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS.ClH/c1-19(2)10-9-17(21)20-13-5-3-4-6-15(13)22-16-8-7-12(18)11-14(16)20;/h3-8,11H,9-10H2,1-2H3;1H.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride?
1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride has a molecular weight of 369.32 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 2834218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).