3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one

C15H20N4O4S — CID 126898605

IUPAC3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
SMILESCS(=O)(=O)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C15H20N4O4S/c1-24(22,23)19-6-4-17(5-7-19)12-2-3-13-14(10-12)16-11-18(8-9-20)15(13)21/h2-3,10-11,20H,4-9H2,1H3
InChIKeyATDGGPIWPOGNBY-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.53
Rot. Bonds4

About 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one

3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one (PubChem CID 126898605) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
PubChem CID126898605
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
SMILESCS(=O)(=O)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C15H20N4O4S/c1-24(22,23)19-6-4-17(5-7-19)12-2-3-13-14(10-12)16-11-18(8-9-20)15(13)21/h2-3,10-11,20H,4-9H2,1H3
InChIKeyATDGGPIWPOGNBY-UHFFFAOYSA-N
XLogP-0.53
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
3-(2-hydroxyethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898729
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-hydroxyethyl)-7-[4-[2-(3-methylimidazol-4-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898790
3-(2-hydroxyethyl)-7-[4-(4-methylcyclohexanecarbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898597
3-(2-hydroxyethyl)-7-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898756
3-(2-hydroxyethyl)-7-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898761
3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898874

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one (CID 126898605) is 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one is CS(=O)(=O)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1.
What is the InChIKey of 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is ATDGGPIWPOGNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-24(22,23)19-6-4-17(5-7-19)12-2-3-13-14(10-12)16-11-18(8-9-20)15(13)21/h2-3,10-11,20H,4-9H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one?
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 352.42 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 126898605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).