2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone

C18H18N2O3S — CID 66492583

IUPAC2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone
SMILESO=C(CN1CCOCC1)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C18H18N2O3S/c21-18(13-19-9-11-23-12-10-19)20-14-5-1-3-7-16(14)24(22)17-8-4-2-6-15(17)20/h1-8H,9-13H2
InChIKeyYDSQPNJTGNCYPK-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.16
Rot. Bonds2

About 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone

2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone (PubChem CID 66492583) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone
PubChem CID66492583
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone
SMILESO=C(CN1CCOCC1)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C18H18N2O3S/c21-18(13-19-9-11-23-12-10-19)20-14-5-1-3-7-16(14)24(22)17-8-4-2-6-15(17)20/h1-8H,9-13H2
InChIKeyYDSQPNJTGNCYPK-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone
CID 66507614
1-(5-oxophenothiazin-10-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 66507423
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-morpholin-4-ylethanone
CID 777342
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-oxophenothiazin-10-yl)ethanone
CID 66492591
ethyl 4-[2-oxo-2-(5-oxophenothiazin-10-yl)ethyl]piperazine-1-carboxylate
CID 66507360
(4S)-4-methyl-5-(2-morpholin-4-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 7101275
2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
CID 2864971
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide
CID 154424772
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
CID 4558528
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone?
The IUPAC name of 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone (CID 66492583) is 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone is O=C(CN1CCOCC1)N1c2ccccc2S(=O)c2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone?
The InChIKey is YDSQPNJTGNCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-18(13-19-9-11-23-12-10-19)20-14-5-1-3-7-16(14)24(22)17-8-4-2-6-15(17)20/h1-8H,9-13H2.
What are the key properties of 2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone?
2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone has a molecular weight of 342.42 g/mol, XLogP of 2.16, 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-(5-oxophenothiazin-10-yl)ethanone is sourced from PubChem (CID 66492583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).