3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

C23H26N4O6S — CID 27022926

IUPAC3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)c1
InChIInChI=1S/C23H26N4O6S/c1-16-5-4-6-18-22(16)24-15-26(23(18)29)14-21(28)25-9-11-27(12-10-25)34(30,31)20-13-17(32-2)7-8-19(20)33-3/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyCZFMUTMFGAJUIK-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.26
Rot. Bonds6

About 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one (PubChem CID 27022926) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
PubChem CID27022926
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)c1
InChIInChI=1S/C23H26N4O6S/c1-16-5-4-6-18-22(16)24-15-26(23(18)29)14-21(28)25-9-11-27(12-10-25)34(30,31)20-13-17(32-2)7-8-19(20)33-3/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyCZFMUTMFGAJUIK-UHFFFAOYSA-N
XLogP1.26
TPSA111.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 30837391
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 38599623
3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 39447640
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
8-methyl-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51264656
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 31734856
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 2051838
1-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 55702620
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The IUPAC name of 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one (CID 27022926) is 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)c1.
What is the InChIKey of 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The InChIKey is CZFMUTMFGAJUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-16-5-4-6-18-22(16)24-15-26(23(18)29)14-21(28)25-9-11-27(12-10-25)34(30,31)20-13-17(32-2)7-8-19(20)33-3/h4-8,13,15H,9-12,14H2,1-3H3.
What are the key properties of 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one has a molecular weight of 486.55 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one is sourced from PubChem (CID 27022926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).