2-morpholin-4-yl-1-phenothiazin-10-ylethanone

C18H18N2O2S — CID 713627

IUPAC2-morpholin-4-yl-1-phenothiazin-10-ylethanone
SMILESO=C(CN1CCOCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H18N2O2S/c21-18(13-19-9-11-22-12-10-19)20-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)20/h1-8H,9-13H2
InChIKeyIOFMQSRGRPMPGN-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.15
Rot. Bonds2

About 2-morpholin-4-yl-1-phenothiazin-10-ylethanone

2-morpholin-4-yl-1-phenothiazin-10-ylethanone (PubChem CID 713627) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-phenothiazin-10-ylethanone
PubChem CID713627
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-morpholin-4-yl-1-phenothiazin-10-ylethanone
SMILESO=C(CN1CCOCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H18N2O2S/c21-18(13-19-9-11-22-12-10-19)20-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)20/h1-8H,9-13H2
InChIKeyIOFMQSRGRPMPGN-UHFFFAOYSA-N
XLogP3.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dixyrazine
CID 17182
2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)-1-propanone
CID 113918
2-(Diethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 69500
Dimethoxanate
CID 10610
Dimethoxanate Hydrochloride
CID 10609
1-(10H-Phenothiazin-10-yl)-2-(pyrrolidin-1-yl)ethan-1-one
CID 114337
Hydroxyethylpromethazine
CID 16406
10-(4-morpholinylcarbonyl)-10H-phenothiazine
CID 705776
N-Phenothiazin-10-Yl-2-Piperidin-1-Yl-Ethanamide
CID 12445967
ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
CID 3245459
Propyromazine Bromide
CID 71493
2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 68846

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-morpholin-4-yl-1-phenothiazin-10-ylethanone (CID 713627) is 2-morpholin-4-yl-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-morpholin-4-yl-1-phenothiazin-10-ylethanone is O=C(CN1CCOCC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-1-phenothiazin-10-ylethanone?
The InChIKey is IOFMQSRGRPMPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-18(13-19-9-11-22-12-10-19)20-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)20/h1-8H,9-13H2.
What are the key properties of 2-morpholin-4-yl-1-phenothiazin-10-ylethanone?
2-morpholin-4-yl-1-phenothiazin-10-ylethanone has a molecular weight of 326.42 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 713627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).