3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one

C15H15N3O3S — CID 2635428

IUPAC3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one
SMILESCn1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O
InChIInChI=1S/C15H15N3O3S/c1-17-14(21)10-5-2-3-6-11(10)16-15(17)22-9-13(20)18-8-4-7-12(18)19/h2-3,5-6H,4,7-9H2,1H3
InChIKeyUOMZVSJZTVKWKK-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.17
Rot. Bonds3

About 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one

3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one (PubChem CID 2635428) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one
PubChem CID2635428
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one
SMILESCn1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O
InChIInChI=1S/C15H15N3O3S/c1-17-14(21)10-5-2-3-6-11(10)16-15(17)22-9-13(20)18-8-4-7-12(18)19/h2-3,5-6H,4,7-9H2,1H3
InChIKeyUOMZVSJZTVKWKK-UHFFFAOYSA-N
XLogP1.17
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one (CID 2635428) is 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one is Cn1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one?
The InChIKey is UOMZVSJZTVKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-17-14(21)10-5-2-3-6-11(10)16-15(17)22-9-13(20)18-8-4-7-12(18)19/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one?
3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one has a molecular weight of 317.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 2635428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).