4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride

C24H33ClN4OS — CID 173481521

IUPAC4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride
SMILESCCc1cc(N2CCCNCC2)cc2c1Nc1c(C)cc(N3CCOCC3)cc1S2.Cl
InChIInChI=1S/C24H32N4OS.ClH/c1-3-18-14-20(27-7-4-5-25-6-8-27)16-22-24(18)26-23-17(2)13-19(15-21(23)30-22)28-9-11-29-12-10-28;/h13-16,25-26H,3-12H2,1-2H3;1H
InChIKeyUXDLOCBMZZIMIM-UHFFFAOYSA-N
MW461.08 g/mol
LogP4.82
Rot. Bonds3

About 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride

4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride (PubChem CID 173481521) has the molecular formula C24H33ClN4OS and a molecular weight of 461.08 g/mol. Its IUPAC name is 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride
PubChem CID173481521
Molecular FormulaC24H33ClN4OS
Molecular Weight461.08 g/mol
Exact Mass460.21
IUPAC Name4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride
SMILESCCc1cc(N2CCCNCC2)cc2c1Nc1c(C)cc(N3CCOCC3)cc1S2.Cl
InChIInChI=1S/C24H32N4OS.ClH/c1-3-18-14-20(27-7-4-5-25-6-8-27)16-22-24(18)26-23-17(2)13-19(15-21(23)30-22)28-9-11-29-12-10-28;/h13-16,25-26H,3-12H2,1-2H3;1H
InChIKeyUXDLOCBMZZIMIM-UHFFFAOYSA-N
XLogP4.82
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.08
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride with MolForge

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Related Compounds

4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine
CID 67468174
7-(4-cyclopropylsulfonylpiperazin-1-yl)-1-ethyl-9-methyl-3-pyrrolidin-1-yl-10H-phenothiazine
CID 90281780
1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine
CID 90320836
2-ethyl-6-methyl-4-morpholin-4-ylaniline
CID 83707293
1-(6-bromo-5-ethyl-3-pyridinyl)-1,4-diazepane
CID 54223601
1-(5-ethyl-6-iodo-3-pyridinyl)-1,4-diazepane
CID 22053478
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine
CID 89077358
4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride
CID 173481523
1-(4-ethoxy-3-methylphenyl)-1,4-diazepane
CID 63214343
4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
8-ethyl-6-piperazin-1-yl-4H-1,4-benzoxazin-3-one
CID 82233048

Frequently Asked Questions

What is the IUPAC name of 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride?
The IUPAC name of 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride (CID 173481521) is 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride is CCc1cc(N2CCCNCC2)cc2c1Nc1c(C)cc(N3CCOCC3)cc1S2.Cl.
What is the InChIKey of 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride?
The InChIKey is UXDLOCBMZZIMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4OS.ClH/c1-3-18-14-20(27-7-4-5-25-6-8-27)16-22-24(18)26-23-17(2)13-19(15-21(23)30-22)28-9-11-29-12-10-28;/h13-16,25-26H,3-12H2,1-2H3;1H.
What are the key properties of 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride?
4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride has a molecular weight of 461.08 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride is sourced from PubChem (CID 173481521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).