Propiopromazine Hydrochloride

C20H25ClN2OS — CID 24351

IUPAC1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride
SMILESCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.Cl
InChIInChI=1S/C20H24N2OS.ClH/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;/h5-6,8-11,14H,4,7,12-13H2,1-3H3;1H
InChIKeyZFWVWZODBGTOIL-UHFFFAOYSA-N
MW376.90 g/mol
LogP—
Rot. Bonds6

About Propiopromazine Hydrochloride

Propiopromazine Hydrochloride (PubChem CID 24351) has the molecular formula C20H25ClN2OS and a molecular weight of 376.90 g/mol. Its IUPAC name is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound NamePropiopromazine Hydrochloride
PubChem CID24351
Molecular FormulaC20H25ClN2OS
Molecular Weight376.90 g/mol
Exact Mass376.14
IUPAC Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride
SMILESCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.Cl
InChIInChI=1S/C20H24N2OS.ClH/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;/h5-6,8-11,14H,4,7,12-13H2,1-3H3;1H
InChIKeyZFWVWZODBGTOIL-UHFFFAOYSA-N
XLogP—
TPSA48.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity428

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Propiopromazine Hydrochloride?
The IUPAC name of Propiopromazine Hydrochloride (CID 24351) is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride.
What is the SMILES notation for Propiopromazine Hydrochloride?
The canonical SMILES for Propiopromazine Hydrochloride is CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.Cl.
What is the InChIKey of Propiopromazine Hydrochloride?
The InChIKey is ZFWVWZODBGTOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS.ClH/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;/h5-6,8-11,14H,4,7,12-13H2,1-3H3;1H.
What are the key properties of Propiopromazine Hydrochloride?
Propiopromazine Hydrochloride has a molecular weight of 376.90 g/mol, XLogP of not available, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Propiopromazine Hydrochloride is sourced from PubChem (CID 24351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).