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

C20H24N2OS — CID 24352

IUPAC1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C20H24N2OS/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
InChIKeyZQTVCQIJTREKSP-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.83
Rot. Bonds6

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

1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one (PubChem CID 24352) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
PubChem CID24352
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C20H24N2OS/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
InChIKeyZQTVCQIJTREKSP-UHFFFAOYSA-N
XLogP4.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propiomazine
CID 4940
Acepromazine
CID 6077
Butaperazine
CID 12598
Piperacetazine
CID 19675
Carphenazine
CID 18104
Acepromazine Maleate
CID 6420038
Aceprometazine
CID 26035
Acetophenazine
CID 17676
10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-
CID 94975
Acetophenazine Maleate
CID 5281082
Propiomazine Hydrochloride
CID 71802
Carphenazine Maleate
CID 6433356

Frequently Asked Questions

What is the IUPAC name of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one?
The IUPAC name of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one (CID 24352) is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one.
What is the SMILES notation for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one?
The canonical SMILES for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one is CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.
What is the InChIKey of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one?
The InChIKey is ZQTVCQIJTREKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/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.
What are the key properties of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one?
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one has a molecular weight of 340.49 g/mol, XLogP of 4.83, 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 is sourced from PubChem (CID 24352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).