2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one

C18H23N3O2S — CID 46925071

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O2S/c1-2-10-21-17(23)14-8-4-5-9-15(14)19-18(21)24-13-16(22)20-11-6-3-7-12-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKeyBWUKLANXGOVZEK-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one (PubChem CID 46925071) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
PubChem CID46925071
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O2S/c1-2-10-21-17(23)14-8-4-5-9-15(14)19-18(21)24-13-16(22)20-11-6-3-7-12-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKeyBWUKLANXGOVZEK-UHFFFAOYSA-N
XLogP2.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925066
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 2481575
3-(3-hydroxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 18083124
3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1071926
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one
CID 769355
3-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 4812097
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-[3-[2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]quinazolin-4-one
CID 99669402
3-(3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 16517277
7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one
CID 84603704
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one (CID 46925071) is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one is CCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one?
The InChIKey is BWUKLANXGOVZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-10-21-17(23)14-8-4-5-9-15(14)19-18(21)24-13-16(22)20-11-6-3-7-12-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one?
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one has a molecular weight of 345.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 46925071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).