3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine

C19H23NO4S — CID 134281928

IUPAC3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine
SMILESCOCCOCCN1c2ccc(OC)cc2Sc2cc(OC)ccc21
InChIInChI=1S/C19H23NO4S/c1-21-10-11-24-9-8-20-16-6-4-14(22-2)12-18(16)25-19-13-15(23-3)5-7-17(19)20/h4-7,12-13H,8-11H2,1-3H3
InChIKeySMEIAVYXBPBGGV-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.97
Rot. Bonds8

About 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine

3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine (PubChem CID 134281928) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine.

Molecular Properties

Compound Name3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine
PubChem CID134281928
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine
SMILESCOCCOCCN1c2ccc(OC)cc2Sc2cc(OC)ccc21
InChIInChI=1S/C19H23NO4S/c1-21-10-11-24-9-8-20-16-6-4-14(22-2)12-18(16)25-19-13-15(23-3)5-7-17(19)20/h4-7,12-13H,8-11H2,1-3H3
InChIKeySMEIAVYXBPBGGV-UHFFFAOYSA-N
XLogP3.97
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 118545445
3-methoxy-10-methylphenothiazine
CID 18761115
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CID 59989538
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
7-methoxy-N,10-dimethylphenothiazin-3-amine
CID 70686558
2,8-dimethoxythianthrene
CID 71400378
3,7-bis(4-fluorophenoxy)-10-hexylphenothiazine
CID 166805685
1-[3-(3-methoxyphenothiazin-10-yl)propyl]-3-phenylthiourea
CID 71331106
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone
CID 20569761
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
CID 53298655

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine?
The IUPAC name of 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine (CID 134281928) is 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine.
What is the SMILES notation for 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine?
The canonical SMILES for 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine is COCCOCCN1c2ccc(OC)cc2Sc2cc(OC)ccc21.
What is the InChIKey of 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine?
The InChIKey is SMEIAVYXBPBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-21-10-11-24-9-8-20-16-6-4-14(22-2)12-18(16)25-19-13-15(23-3)5-7-17(19)20/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine?
3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine has a molecular weight of 361.46 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine is sourced from PubChem (CID 134281928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).