3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride

C17H18ClN3OS — CID 23558007

IUPAC3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride
SMILESCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)Cl
InChIInChI=1S/C17H18ClN3OS/c1-19(2)11-5-7-13-15(9-11)23-16-10-12(20(3)4)6-8-14(16)21(13)17(18)22/h5-10H,1-4H3
InChIKeyGIPFZQCSGPTPQF-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.78
Rot. Bonds2

About 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride

3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride (PubChem CID 23558007) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride.

Molecular Properties

Compound Name3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride
PubChem CID23558007
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride
SMILESCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)Cl
InChIInChI=1S/C17H18ClN3OS/c1-19(2)11-5-7-13-15(9-11)23-16-10-12(20(3)4)6-8-14(16)21(13)17(18)22/h5-10H,1-4H3
InChIKeyGIPFZQCSGPTPQF-UHFFFAOYSA-N
XLogP4.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide
CID 15918618
3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide
CID 164822712
[3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone
CID 71181789
2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]ethanesulfonate
CID 153427895
2-(4-hydroxyphenyl)ethyl 3,7-bis(dimethylamino)phenothiazine-10-carboxylate
CID 155349410
N,N,7,10-tetramethylphenothiazin-3-amine
CID 162186059
ethyl 4-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]butanoate
CID 139461111
2-[[2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]acetyl]amino]ethanesulfonic acid
CID 24895843
methyl 10-carbonochloridoylphenothiazine-3-carboxylate
CID 154117249
1-[3,8-bis(dimethylamino)-6H-cyclohepta[b][1,4]benzothiazin-11-yl]ethanone
CID 143608884
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride
CID 159676609
[3,7-bis(dibutylamino)phenothiazin-10-yl]-(4-chlorophenyl)methanone
CID 23375105

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride?
The IUPAC name of 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride (CID 23558007) is 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride.
What is the SMILES notation for 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride?
The canonical SMILES for 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride is CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)Cl.
What is the InChIKey of 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride?
The InChIKey is GIPFZQCSGPTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c1-19(2)11-5-7-13-15(9-11)23-16-10-12(20(3)4)6-8-14(16)21(13)17(18)22/h5-10H,1-4H3.
What are the key properties of 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride?
3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride has a molecular weight of 347.87 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride is sourced from PubChem (CID 23558007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).