2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one

C19H22N2OS — CID 1403

IUPAC2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one
SMILESCCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H22N2OS/c1-4-20(5-2)14(3)19(22)21-15-10-6-8-12-17(15)23-18-13-9-7-11-16(18)21/h6-14H,4-5H2,1-3H3
InChIKeyQCEWCMMSOWEHFC-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.55
Rot. Bonds4

About 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one

2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one (PubChem CID 1403) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one
PubChem CID1403
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one
SMILESCCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H22N2OS/c1-4-20(5-2)14(3)19(22)21-15-10-6-8-12-17(15)23-18-13-9-7-11-16(18)21/h6-14H,4-5H2,1-3H3
InChIKeyQCEWCMMSOWEHFC-UHFFFAOYSA-N
XLogP4.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one?
The IUPAC name of 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one (CID 1403) is 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one?
The canonical SMILES for 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one is CCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one?
The InChIKey is QCEWCMMSOWEHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-4-20(5-2)14(3)19(22)21-15-10-6-8-12-17(15)23-18-13-9-7-11-16(18)21/h6-14H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one?
2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one has a molecular weight of 326.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one is sourced from PubChem (CID 1403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).