3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one

C18H17ClN4O4S2 — CID 24682062

IUPAC3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H17ClN4O4S2/c19-15-5-6-17(28-15)29(26,27)23-9-7-21(8-10-23)16(24)11-22-12-20-14-4-2-1-3-13(14)18(22)25/h1-6,12H,7-11H2
InChIKeyWTJDQKIMSIQJJL-UHFFFAOYSA-N
MW452.95 g/mol
LogP1.64
Rot. Bonds4

About 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 24682062) has the molecular formula C18H17ClN4O4S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID24682062
Molecular FormulaC18H17ClN4O4S2
Molecular Weight452.95 g/mol
Exact Mass452.04
IUPAC Name3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H17ClN4O4S2/c19-15-5-6-17(28-15)29(26,27)23-9-7-21(8-10-23)16(24)11-22-12-20-14-4-2-1-3-13(14)18(22)25/h1-6,12H,7-11H2
InChIKeyWTJDQKIMSIQJJL-UHFFFAOYSA-N
XLogP1.64
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 30836403
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801113
3-[4-oxo-4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butyl]quinazolin-4-one
CID 39226517
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 112796511
3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55847594
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
3-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 8642933

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 24682062) is 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is WTJDQKIMSIQJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S2/c19-15-5-6-17(28-15)29(26,27)23-9-7-21(8-10-23)16(24)11-22-12-20-14-4-2-1-3-13(14)18(22)25/h1-6,12H,7-11H2.
What are the key properties of 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 452.95 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 24682062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).