2-cyclohexyl-6-methyl-3H-quinazolin-4-one

C15H18N2O — CID 135999627

IUPAC2-cyclohexyl-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(C3CCCCC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H18N2O/c1-10-7-8-13-12(9-10)15(18)17-14(16-13)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17,18)
InChIKeySEVLJIMPQARPAB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.28
Rot. Bonds1

About 2-cyclohexyl-6-methyl-3H-quinazolin-4-one

2-cyclohexyl-6-methyl-3H-quinazolin-4-one (PubChem CID 135999627) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-cyclohexyl-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-6-methyl-3H-quinazolin-4-one
PubChem CID135999627
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-cyclohexyl-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(C3CCCCC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H18N2O/c1-10-7-8-13-12(9-10)15(18)17-14(16-13)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17,18)
InChIKeySEVLJIMPQARPAB-UHFFFAOYSA-N
XLogP3.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-6-methyl-3H-quinazolin-4-one (CID 135999627) is 2-cyclohexyl-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(C3CCCCC3)[nH]c(=O)c2c1.
What is the InChIKey of 2-cyclohexyl-6-methyl-3H-quinazolin-4-one?
The InChIKey is SEVLJIMPQARPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-7-8-13-12(9-10)15(18)17-14(16-13)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclohexyl-6-methyl-3H-quinazolin-4-one?
2-cyclohexyl-6-methyl-3H-quinazolin-4-one has a molecular weight of 242.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135999627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).