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

C21H29N3OS — CID 1155402

IUPAC3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCCN2CCCCC2)n1C1CCCCC1
InChIInChI=1S/C21H29N3OS/c25-20-18-11-5-6-12-19(18)22-21(24(20)17-9-3-1-4-10-17)26-16-15-23-13-7-2-8-14-23/h5-6,11-12,17H,1-4,7-10,13-16H2
InChIKeyQZWYMTILVSONOC-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.48
Rot. Bonds5

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

3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one (PubChem CID 1155402) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
PubChem CID1155402
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCCN2CCCCC2)n1C1CCCCC1
InChIInChI=1S/C21H29N3OS/c25-20-18-11-5-6-12-19(18)22-21(24(20)17-9-3-1-4-10-17)26-16-15-23-13-7-2-8-14-23/h5-6,11-12,17H,1-4,7-10,13-16H2
InChIKeyQZWYMTILVSONOC-UHFFFAOYSA-N
XLogP4.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957
3-cyclopentyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 7988444
3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one
CID 7988426
3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 78764352
N-butan-2-yl-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51141133
3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1155418
6-[(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55479417
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one (CID 1155402) is 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one is O=c1c2ccccc2nc(SCCN2CCCCC2)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one?
The InChIKey is QZWYMTILVSONOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c25-20-18-11-5-6-12-19(18)22-21(24(20)17-9-3-1-4-10-17)26-16-15-23-13-7-2-8-14-23/h5-6,11-12,17H,1-4,7-10,13-16H2.
What are the key properties of 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one?
3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one has a molecular weight of 371.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 1155402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).