methylamino phenothiazine-10-carboxylate;hydrochloride

C14H13ClN2O2S — CID 16680311

IUPACmethylamino phenothiazine-10-carboxylate;hydrochloride
SMILESCNOC(=O)N1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C14H12N2O2S.ClH/c1-15-18-14(17)16-10-6-2-4-8-12(10)19-13-9-5-3-7-11(13)16;/h2-9,15H,1H3;1H
InChIKeyPKFRYDXSQLCBFO-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.98
Rot. Bonds1

About methylamino phenothiazine-10-carboxylate;hydrochloride

methylamino phenothiazine-10-carboxylate;hydrochloride (PubChem CID 16680311) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is methylamino phenothiazine-10-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethylamino phenothiazine-10-carboxylate;hydrochloride
PubChem CID16680311
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Namemethylamino phenothiazine-10-carboxylate;hydrochloride
SMILESCNOC(=O)N1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C14H12N2O2S.ClH/c1-15-18-14(17)16-10-6-2-4-8-12(10)19-13-9-5-3-7-11(13)16;/h2-9,15H,1H3;1H
InChIKeyPKFRYDXSQLCBFO-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methylamino phenothiazine-10-carboxylate;hydrochloride 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

2-methylpropyl phenothiazine-10-carboxylate
CID 139765578
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761
2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
CID 158923820
1-ethylphenothiazine-10-carboxylic acid;hydrochloride
CID 174463458
cyclohexyl phenothiazine-10-carboxylate
CID 139765557
2-[1-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate;hydrochloride
CID 23616951
[(Z)-[amino-(4-methylphenyl)methylidene]amino] phenothiazine-10-carboxylate
CID 6248830
1-phenothiazin-10-ylprop-2-en-1-one
CID 13012850
(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
CID 4928252
methyl 2-(phenothiazine-10-carbonylamino)benzoate
CID 1045457
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347

Frequently Asked Questions

What is the IUPAC name of methylamino phenothiazine-10-carboxylate;hydrochloride?
The IUPAC name of methylamino phenothiazine-10-carboxylate;hydrochloride (CID 16680311) is methylamino phenothiazine-10-carboxylate;hydrochloride.
What is the SMILES notation for methylamino phenothiazine-10-carboxylate;hydrochloride?
The canonical SMILES for methylamino phenothiazine-10-carboxylate;hydrochloride is CNOC(=O)N1c2ccccc2Sc2ccccc21.Cl.
What is the InChIKey of methylamino phenothiazine-10-carboxylate;hydrochloride?
The InChIKey is PKFRYDXSQLCBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S.ClH/c1-15-18-14(17)16-10-6-2-4-8-12(10)19-13-9-5-3-7-11(13)16;/h2-9,15H,1H3;1H.
What are the key properties of methylamino phenothiazine-10-carboxylate;hydrochloride?
methylamino phenothiazine-10-carboxylate;hydrochloride has a molecular weight of 308.79 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino phenothiazine-10-carboxylate;hydrochloride is sourced from PubChem (CID 16680311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).