3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride

C19H21ClN4O3S — CID 120735429

IUPAC3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)Cn1cnc2sccc2c1=O.Cl
InChIInChI=1S/C19H20N4O3S.ClH/c1-26-16-5-3-2-4-13(16)15-10-20-7-8-23(15)17(24)11-22-12-21-18-14(19(22)25)6-9-27-18;/h2-6,9,12,15,20H,7-8,10-11H2,1H3;1H
InChIKeyVGCZWGDSKARTNI-UHFFFAOYSA-N
MW420.92 g/mol
LogP2.06
Rot. Bonds4

About 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride

3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 120735429) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID120735429
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)Cn1cnc2sccc2c1=O.Cl
InChIInChI=1S/C19H20N4O3S.ClH/c1-26-16-5-3-2-4-13(16)15-10-20-7-8-23(15)17(24)11-22-12-21-18-14(19(22)25)6-9-27-18;/h2-6,9,12,15,20H,7-8,10-11H2,1H3;1H
InChIKeyVGCZWGDSKARTNI-UHFFFAOYSA-N
XLogP2.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120734352
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 120741199
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione;hydrochloride
CID 120733120
2-indazol-2-yl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120734547
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one;hydrochloride
CID 120733635
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride (CID 120735429) is 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride is COc1ccccc1C1CNCCN1C(=O)Cn1cnc2sccc2c1=O.Cl.
What is the InChIKey of 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is VGCZWGDSKARTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S.ClH/c1-26-16-5-3-2-4-13(16)15-10-20-7-8-23(15)17(24)11-22-12-21-18-14(19(22)25)6-9-27-18;/h2-6,9,12,15,20H,7-8,10-11H2,1H3;1H.
What are the key properties of 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 420.92 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 120735429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).