2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride

C19H23ClN2O3S — CID 23616951

IUPAC2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride
SMILESCC(OCCOC(=O)N1c2ccccc2Sc2ccccc21)N(C)C.Cl
InChIInChI=1S/C19H22N2O3S.ClH/c1-14(20(2)3)23-12-13-24-19(22)21-15-8-4-6-10-17(15)25-18-11-7-5-9-16(18)21;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyNZCDNAAEWNBQEC-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.77
Rot. Bonds5

About 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride

2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride (PubChem CID 23616951) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride
PubChem CID23616951
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride
SMILESCC(OCCOC(=O)N1c2ccccc2Sc2ccccc21)N(C)C.Cl
InChIInChI=1S/C19H22N2O3S.ClH/c1-14(20(2)3)23-12-13-24-19(22)21-15-8-4-6-10-17(15)25-18-11-7-5-9-16(18)21;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyNZCDNAAEWNBQEC-UHFFFAOYSA-N
XLogP4.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl phenothiazine-10-carboxylate
CID 139765578
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
3-(diethylamino)-2-methyl-1-phenothiazin-10-ylbutan-1-one
CID 3029960
pentyl 3-(trifluoromethyl)phenothiazine-10-carboxylate
CID 150049651
(2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxypropanoate
CID 23848966
2-phenylethyl 3,7-bis(methylamino)phenothiazine-10-carboxylate
CID 155731228
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347
2-(2-pyrrolidin-1-ium-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate chloride
CID 110174347
2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
CID 53461661
(2-oxo-2-phenothiazin-10-ylethyl) butanoate
CID 2629114
3-[bis(prop-2-enyl)amino]propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride
CID 3048190
[(Z)-[amino-(4-methylphenyl)methylidene]amino] phenothiazine-10-carboxylate
CID 6248830

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride?
The IUPAC name of 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride (CID 23616951) is 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride.
What is the SMILES notation for 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride?
The canonical SMILES for 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride is CC(OCCOC(=O)N1c2ccccc2Sc2ccccc21)N(C)C.Cl.
What is the InChIKey of 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride?
The InChIKey is NZCDNAAEWNBQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S.ClH/c1-14(20(2)3)23-12-13-24-19(22)21-15-8-4-6-10-17(15)25-18-11-7-5-9-16(18)21;/h4-11,14H,12-13H2,1-3H3;1H.
What are the key properties of 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride?
2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride has a molecular weight of 394.92 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride is sourced from PubChem (CID 23616951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).