ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate

C21H25ClN2O2S — CID 14278854

IUPACethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccc(Cl)cc1S2
InChIInChI=1S/C21H25ClN2O2S/c1-5-26-21(25)11-15-6-9-19-18(10-15)24(13-14(2)23(3)4)17-8-7-16(22)12-20(17)27-19/h6-10,12,14H,5,11,13H2,1-4H3
InChIKeyGNOLPVFNCDQPDB-UHFFFAOYSA-N
MW404.96 g/mol
LogP5.00
Rot. Bonds6

About ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate

ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate (PubChem CID 14278854) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate
PubChem CID14278854
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC Nameethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccc(Cl)cc1S2
InChIInChI=1S/C21H25ClN2O2S/c1-5-26-21(25)11-15-6-9-19-18(10-15)24(13-14(2)23(3)4)17-8-7-16(22)12-20(17)27-19/h6-10,12,14H,5,11,13H2,1-4H3
InChIKeyGNOLPVFNCDQPDB-UHFFFAOYSA-N
XLogP5.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate 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,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
CID 68867493
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]ethanone;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 159357848
ethyl 2-[3-chloro-4-(dimethylcarbamoylsulfanyl)phenyl]acetate
CID 89159438
2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine
CID 3064130
ethyl 7-chloro-4-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-1,4-benzothiazine-3-carboxylate
CID 10070564
ethyl 2-(7-chlorothianthren-2-yl)propanoate
CID 54242124
ethyl 2-(8-chlorothianthren-2-yl)propanoate
CID 54439856
N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine
CID 3064128
(2-oxo-2-phenothiazin-10-ylethyl) 2-(3,4-dimethylphenyl)acetate
CID 7904861
ethyl 2-(3,4-dihydro-2H-thiochromen-6-yl)acetate
CID 116932100
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
2-[10-[2-(dimethylamino)ethyl]-7-fluorophenothiazin-2-yl]acetic acid;2-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]-2-methylpropanoic acid;2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-methylpropanoic acid;2-methyl-2-[10-(3-pyrrolidin-1-ylpropyl)phenothiazin-2-yl]propanoic acid
CID 173423961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate?
The IUPAC name of ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate (CID 14278854) is ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate is CCOC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccc(Cl)cc1S2.
What is the InChIKey of ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate?
The InChIKey is GNOLPVFNCDQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c1-5-26-21(25)11-15-6-9-19-18(10-15)24(13-14(2)23(3)4)17-8-7-16(22)12-20(17)27-19/h6-10,12,14H,5,11,13H2,1-4H3.
What are the key properties of ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate?
ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate has a molecular weight of 404.96 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate is sourced from PubChem (CID 14278854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).