4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one

C18H16ClN3O2S — CID 8548058

IUPAC4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CCN1
InChIInChI=1S/C18H16ClN3O2S/c19-12-5-6-16-14(9-12)22(13-3-1-2-4-15(13)25-16)18(24)11-21-8-7-20-17(23)10-21/h1-6,9H,7-8,10-11H2,(H,20,23)
InChIKeySVSRENGTAPVZFZ-UHFFFAOYSA-N
MW373.87 g/mol
LogP2.90
Rot. Bonds2

About 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one

4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 8548058) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one
PubChem CID8548058
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CCN1
InChIInChI=1S/C18H16ClN3O2S/c19-12-5-6-16-14(9-12)22(13-3-1-2-4-15(13)25-16)18(24)11-21-8-7-20-17(23)10-21/h1-6,9H,7-8,10-11H2,(H,20,23)
InChIKeySVSRENGTAPVZFZ-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 54337450
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ylpropan-1-one
CID 1304402
(5E)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 2270543
(5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 2270544
1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride
CID 43834134
2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone
CID 20569753
2-azido-1-(2-chlorophenothiazin-10-yl)ethanone
CID 86728072

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one (CID 8548058) is 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one is O=C1CN(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CCN1.
What is the InChIKey of 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is SVSRENGTAPVZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-12-5-6-16-14(9-12)22(13-3-1-2-4-15(13)25-16)18(24)11-21-8-7-20-17(23)10-21/h1-6,9H,7-8,10-11H2,(H,20,23).
What are the key properties of 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one?
4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 373.87 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 8548058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).