3-cyclohexyl-2-methylsulfanylquinazolin-4-one

C15H18N2OS — CID 866369

IUPAC3-cyclohexyl-2-methylsulfanylquinazolin-4-one
SMILESCSc1nc2ccccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C15H18N2OS/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyIWNOXYDFAMUXDF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.62
Rot. Bonds2

About 3-cyclohexyl-2-methylsulfanylquinazolin-4-one

3-cyclohexyl-2-methylsulfanylquinazolin-4-one (PubChem CID 866369) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-cyclohexyl-2-methylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-methylsulfanylquinazolin-4-one
PubChem CID866369
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-cyclohexyl-2-methylsulfanylquinazolin-4-one
SMILESCSc1nc2ccccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C15H18N2OS/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyIWNOXYDFAMUXDF-UHFFFAOYSA-N
XLogP3.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methylsulfanylquinazolin-4-one?
The IUPAC name of 3-cyclohexyl-2-methylsulfanylquinazolin-4-one (CID 866369) is 3-cyclohexyl-2-methylsulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-methylsulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclohexyl-2-methylsulfanylquinazolin-4-one is CSc1nc2ccccc2c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methylsulfanylquinazolin-4-one?
The InChIKey is IWNOXYDFAMUXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 3-cyclohexyl-2-methylsulfanylquinazolin-4-one?
3-cyclohexyl-2-methylsulfanylquinazolin-4-one has a molecular weight of 274.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methylsulfanylquinazolin-4-one is sourced from PubChem (CID 866369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).