methyl 10-carbonochloridoylphenothiazine-3-carboxylate

C15H10ClNO3S — CID 154117249

IUPACmethyl 10-carbonochloridoylphenothiazine-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)Sc1ccccc1N2C(=O)Cl
InChIInChI=1S/C15H10ClNO3S/c1-20-14(18)9-6-7-11-13(8-9)21-12-5-3-2-4-10(12)17(11)15(16)19/h2-8H,1H3
InChIKeySMBNVLIBBPJENX-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.43
Rot. Bonds1

About methyl 10-carbonochloridoylphenothiazine-3-carboxylate

methyl 10-carbonochloridoylphenothiazine-3-carboxylate (PubChem CID 154117249) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is methyl 10-carbonochloridoylphenothiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 10-carbonochloridoylphenothiazine-3-carboxylate
PubChem CID154117249
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Namemethyl 10-carbonochloridoylphenothiazine-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)Sc1ccccc1N2C(=O)Cl
InChIInChI=1S/C15H10ClNO3S/c1-20-14(18)9-6-7-11-13(8-9)21-12-5-3-2-4-10(12)17(11)15(16)19/h2-8H,1H3
InChIKeySMBNVLIBBPJENX-UHFFFAOYSA-N
XLogP4.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.43
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 methyl 10-carbonochloridoylphenothiazine-3-carboxylate 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

3-propanoylphenothiazine-10-carboxylic acid
CID 154096158
N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928260
thianthrene-2-carbonyl chloride
CID 15866382
(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride
CID 88803473
3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride
CID 23558007
N'-(3-iodo-4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928295
dimethyl 2-phenothiazin-10-ylbenzene-1,3-dicarboxylate
CID 169083583
methyl 4-[(E)-[[2-(2-acetylphenothiazin-10-yl)-2-oxoethyl]hydrazinylidene]methyl]benzoate
CID 24835018
methyl benzo[b][1,4]benzothiazepine-9-carboxylate
CID 13013929
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
(2-oxo-2-phenothiazin-10-ylethyl) 3-methoxybenzoate
CID 8009407

Frequently Asked Questions

What is the IUPAC name of methyl 10-carbonochloridoylphenothiazine-3-carboxylate?
The IUPAC name of methyl 10-carbonochloridoylphenothiazine-3-carboxylate (CID 154117249) is methyl 10-carbonochloridoylphenothiazine-3-carboxylate.
What is the SMILES notation for methyl 10-carbonochloridoylphenothiazine-3-carboxylate?
The canonical SMILES for methyl 10-carbonochloridoylphenothiazine-3-carboxylate is COC(=O)c1ccc2c(c1)Sc1ccccc1N2C(=O)Cl.
What is the InChIKey of methyl 10-carbonochloridoylphenothiazine-3-carboxylate?
The InChIKey is SMBNVLIBBPJENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c1-20-14(18)9-6-7-11-13(8-9)21-12-5-3-2-4-10(12)17(11)15(16)19/h2-8H,1H3.
What are the key properties of methyl 10-carbonochloridoylphenothiazine-3-carboxylate?
methyl 10-carbonochloridoylphenothiazine-3-carboxylate has a molecular weight of 319.77 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-carbonochloridoylphenothiazine-3-carboxylate is sourced from PubChem (CID 154117249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).