3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one

C18H24N4O5S — CID 126950782

IUPAC3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2S(=O)(=O)N2CCOCC2)n1CCO
InChIInChI=1S/C18H24N4O5S/c23-11-8-21-17(19-15-5-2-1-4-14(15)18(21)24)16-6-3-7-22(16)28(25,26)20-9-12-27-13-10-20/h1-2,4-5,16,23H,3,6-13H2
InChIKeyPLMCSESXBSFOKY-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.10
Rot. Bonds5

About 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one

3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one (PubChem CID 126950782) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one
PubChem CID126950782
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2S(=O)(=O)N2CCOCC2)n1CCO
InChIInChI=1S/C18H24N4O5S/c23-11-8-21-17(19-15-5-2-1-4-14(15)18(21)24)16-6-3-7-22(16)28(25,26)20-9-12-27-13-10-20/h1-2,4-5,16,23H,3,6-13H2
InChIKeyPLMCSESXBSFOKY-UHFFFAOYSA-N
XLogP0.10
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126951015
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951022
2-[1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950967
3-(2-methoxyethyl)-2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951121
3-(2-hydroxyethyl)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951032
2-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950700
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306
3-(2-hydroxyethyl)-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950879

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one (CID 126950782) is 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2S(=O)(=O)N2CCOCC2)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one?
The InChIKey is PLMCSESXBSFOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c23-11-8-21-17(19-15-5-2-1-4-14(15)18(21)24)16-6-3-7-22(16)28(25,26)20-9-12-27-13-10-20/h1-2,4-5,16,23H,3,6-13H2.
What are the key properties of 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one?
3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one has a molecular weight of 408.48 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one is sourced from PubChem (CID 126950782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).