4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine

C23H30N4OS — CID 67468174

IUPAC4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine
SMILESCCc1cc(N2CCNCC2)cc2c1Nc1c(C)cc(N3CCOCC3)cc1S2
InChIInChI=1S/C23H30N4OS/c1-3-17-13-19(26-6-4-24-5-7-26)15-21-23(17)25-22-16(2)12-18(14-20(22)29-21)27-8-10-28-11-9-27/h12-15,24-25H,3-11H2,1-2H3
InChIKeyYESLTALHYHBHAH-UHFFFAOYSA-N
MW410.59 g/mol
LogP4.01
Rot. Bonds3

About 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine

4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine (PubChem CID 67468174) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine.

Molecular Properties

Compound Name4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine
PubChem CID67468174
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine
SMILESCCc1cc(N2CCNCC2)cc2c1Nc1c(C)cc(N3CCOCC3)cc1S2
InChIInChI=1S/C23H30N4OS/c1-3-17-13-19(26-6-4-24-5-7-26)15-21-23(17)25-22-16(2)12-18(14-20(22)29-21)27-8-10-28-11-9-27/h12-15,24-25H,3-11H2,1-2H3
InChIKeyYESLTALHYHBHAH-UHFFFAOYSA-N
XLogP4.01
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine?
The IUPAC name of 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine (CID 67468174) is 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine.
What is the SMILES notation for 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine?
The canonical SMILES for 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine is CCc1cc(N2CCNCC2)cc2c1Nc1c(C)cc(N3CCOCC3)cc1S2.
What is the InChIKey of 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine?
The InChIKey is YESLTALHYHBHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-3-17-13-19(26-6-4-24-5-7-26)15-21-23(17)25-22-16(2)12-18(14-20(22)29-21)27-8-10-28-11-9-27/h12-15,24-25H,3-11H2,1-2H3.
What are the key properties of 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine?
4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine has a molecular weight of 410.59 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine is sourced from PubChem (CID 67468174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).