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

C18H23N3O3S — CID 2610765

IUPAC3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
SMILESCOCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O3S/c1-24-12-11-21-17(23)14-7-3-4-8-15(14)19-18(21)25-13-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-13H2,1H3
InChIKeyNWDZDKNDWGLYIA-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.15
Rot. Bonds6

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

3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one (PubChem CID 2610765) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
PubChem CID2610765
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
SMILESCOCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O3S/c1-24-12-11-21-17(23)14-7-3-4-8-15(14)19-18(21)25-13-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-13H2,1H3
InChIKeyNWDZDKNDWGLYIA-UHFFFAOYSA-N
XLogP2.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one (CID 2610765) is 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one is COCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one?
The InChIKey is NWDZDKNDWGLYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-24-12-11-21-17(23)14-7-3-4-8-15(14)19-18(21)25-13-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-13H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one?
3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one has a molecular weight of 361.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 2610765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).