1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride

C20H25ClN2OS — CID 24351

IUPAC1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride
SMILESCCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.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
MW376.95 g/mol
LogP5.26
Rot. Bonds6

About 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride

1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride (PubChem CID 24351) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride
PubChem CID24351
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride
SMILESCCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.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
XLogP5.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.95
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride?
The IUPAC name of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride (CID 24351) is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride is CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.Cl.
What is the InChIKey of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;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 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride?
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 24351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).