2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one

C24H27N3O2S — CID 24654189

IUPAC2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(SC(C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H27N3O2S/c1-17(2)27-22(28)19-13-7-8-14-20(19)25-24(27)30-21(18-11-5-3-6-12-18)23(29)26-15-9-4-10-16-26/h3,5-8,11-14,17,21H,4,9-10,15-16H2,1-2H3
InChIKeyJFFRYWOMVWJQAP-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.82
Rot. Bonds5

About 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one

2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one (PubChem CID 24654189) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one
PubChem CID24654189
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(SC(C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H27N3O2S/c1-17(2)27-22(28)19-13-7-8-14-20(19)25-24(27)30-21(18-11-5-3-6-12-18)23(29)26-15-9-4-10-16-26/h3,5-8,11-14,17,21H,4,9-10,15-16H2,1-2H3
InChIKeyJFFRYWOMVWJQAP-UHFFFAOYSA-N
XLogP4.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 8981712
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 18199015
(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25334103
3-[[(2S)-oxolan-2-yl]methyl]-2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylquinazolin-4-one
CID 40816991
3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46661639
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
(2R)-2-phenyl-1-piperidin-1-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 93011629
2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one
CID 10086293
3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one
CID 11911163
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanenitrile
CID 7427802
2-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 27716286

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one (CID 24654189) is 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one is CC(C)n1c(SC(C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one?
The InChIKey is JFFRYWOMVWJQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17(2)27-22(28)19-13-7-8-14-20(19)25-24(27)30-21(18-11-5-3-6-12-18)23(29)26-15-9-4-10-16-26/h3,5-8,11-14,17,21H,4,9-10,15-16H2,1-2H3.
What are the key properties of 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one?
2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one has a molecular weight of 421.57 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 24654189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).