3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one

C22H25N3O2S — CID 1155418

IUPAC3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(SCCN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N3O2S/c1-27-20-12-6-5-11-19(20)25-21(26)17-9-3-4-10-18(17)23-22(25)28-16-15-24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-16H2,1H3
InChIKeyKMCFJQMXPHGZCA-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.97
Rot. Bonds6

About 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one

3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one (PubChem CID 1155418) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
PubChem CID1155418
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(SCCN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N3O2S/c1-27-20-12-6-5-11-19(20)25-21(26)17-9-3-4-10-18(17)23-22(25)28-16-15-24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-16H2,1H3
InChIKeyKMCFJQMXPHGZCA-UHFFFAOYSA-N
XLogP3.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one;hydrochloride
CID 52997902
3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1391462
3-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
CID 7501386
3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 3968928
3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1155402
3-(2-methoxyphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
CID 9360924
3-(2-methoxy-5-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 9329464
2-[(2,5-difluorophenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 51365793
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-methoxyphenyl)quinazolin-4-one
CID 4809800
3-(2-methoxyphenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylquinazolin-4-one
CID 3305667
N-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1071941
3-(2-methylphenyl)-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one
CID 71521988

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one (CID 1155418) is 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one is COc1ccccc1-n1c(SCCN2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one?
The InChIKey is KMCFJQMXPHGZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-27-20-12-6-5-11-19(20)25-21(26)17-9-3-4-10-18(17)23-22(25)28-16-15-24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-16H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one?
3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one has a molecular weight of 395.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 1155418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).