3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one

C19H25N3O2S — CID 1075071

IUPAC3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
SMILESCC(C)Cn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C19H25N3O2S/c1-14(2)12-22-18(24)15-8-4-5-9-16(15)20-19(22)25-13-17(23)21-10-6-3-7-11-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyWQPPOBAVDFFAOZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.16
Rot. Bonds5

About 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one

3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one (PubChem CID 1075071) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
PubChem CID1075071
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
SMILESCC(C)Cn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C19H25N3O2S/c1-14(2)12-22-18(24)15-8-4-5-9-16(15)20-19(22)25-13-17(23)21-10-6-3-7-11-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyWQPPOBAVDFFAOZ-UHFFFAOYSA-N
XLogP3.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one (CID 1075071) is 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one is CC(C)Cn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one?
The InChIKey is WQPPOBAVDFFAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14(2)12-22-18(24)15-8-4-5-9-16(15)20-19(22)25-13-17(23)21-10-6-3-7-11-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one?
3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one has a molecular weight of 359.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 1075071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).