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

C19H23ClN2OS — CID 11957509

IUPAC2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride
SMILESCCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C19H22N2OS.ClH/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;1H
InChIKeyOMZUZRPGDRFFGQ-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.97
Rot. Bonds4

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

2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride (PubChem CID 11957509) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride
PubChem CID11957509
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride
SMILESCCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C19H22N2OS.ClH/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;1H
InChIKeyOMZUZRPGDRFFGQ-UHFFFAOYSA-N
XLogP4.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.97
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;hydrochloride?
The IUPAC name of 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride (CID 11957509) is 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride is CCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc21.Cl.
What is the InChIKey of 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride?
The InChIKey is OMZUZRPGDRFFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS.ClH/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;1H.
What are the key properties of 2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride?
2-(diethylamino)-1-phenothiazin-10-ylpropan-1-one;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 4.97, 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;hydrochloride is sourced from PubChem (CID 11957509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).