2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine

C32H48ClN3O6S — CID 130178291

IUPAC2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine
SMILESCOCC(COCC(COCC(CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1)OC)OC)OC
InChIInChI=1S/C32H48ClN3O6S/c1-37-20-27(39-3)22-42-24-28(40-4)23-41-21-26(38-2)19-35-16-14-34(15-17-35)12-7-13-36-29-8-5-6-9-31(29)43-32-11-10-25(33)18-30(32)36/h5-6,8-11,18,26-28H,7,12-17,19-24H2,1-4H3
InChIKeyKMMZKWFLDPUVGE-UHFFFAOYSA-N
MW638.27 g/mol
LogP4.68
Rot. Bonds19

About 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine

2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine (PubChem CID 130178291) has the molecular formula C32H48ClN3O6S and a molecular weight of 638.27 g/mol. Its IUPAC name is 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine.

Molecular Properties

Compound Name2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine
PubChem CID130178291
Molecular FormulaC32H48ClN3O6S
Molecular Weight638.27 g/mol
Exact Mass637.30
IUPAC Name2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine
SMILESCOCC(COCC(COCC(CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1)OC)OC)OC
InChIInChI=1S/C32H48ClN3O6S/c1-37-20-27(39-3)22-42-24-28(40-4)23-41-21-26(38-2)19-35-16-14-34(15-17-35)12-7-13-36-29-8-5-6-9-31(29)43-32-11-10-25(33)18-30(32)36/h5-6,8-11,18,26-28H,7,12-17,19-24H2,1-4H3
InChIKeyKMMZKWFLDPUVGE-UHFFFAOYSA-N
XLogP4.68
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine 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-chloro-10-[3-[4-[2-[2-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropoxy]ethoxy]ethyl]piperazin-1-yl]propyl]phenothiazine
CID 130178303
2-chloro-10-[3-[4-[2-[2-[2-[2-methoxy-3-[2-methoxy-3-(2-methoxybutoxy)propoxy]propoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]phenothiazine
CID 130177421
1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
CID 161313077
2-methoxyethyl 4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1-carboxylate
CID 130177451
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1-carboxylate
CID 130177397
2-[2-[4-[(2S)-3-(2-chlorophenothiazin-10-yl)-2-methylpropyl]piperazin-1-yl]ethoxy]ethanol
CID 92774175
2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
CID 91189006
2-chloro-10-[3-(4-phenylpiperazin-1-yl)propyl]phenothiazine
CID 135251831
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
CID 178190515
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;10H-phenothiazine
CID 18787839
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;pentanoate
CID 131740566
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine?
The IUPAC name of 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine (CID 130178291) is 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine.
What is the SMILES notation for 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine?
The canonical SMILES for 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine is COCC(COCC(COCC(CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1)OC)OC)OC.
What is the InChIKey of 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine?
The InChIKey is KMMZKWFLDPUVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48ClN3O6S/c1-37-20-27(39-3)22-42-24-28(40-4)23-41-21-26(38-2)19-35-16-14-34(15-17-35)12-7-13-36-29-8-5-6-9-31(29)43-32-11-10-25(33)18-30(32)36/h5-6,8-11,18,26-28H,7,12-17,19-24H2,1-4H3.
What are the key properties of 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine?
2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine has a molecular weight of 638.27 g/mol, XLogP of 4.68, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine is sourced from PubChem (CID 130178291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).