2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one

C15H20N2O — CID 62007667

IUPAC2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CCCC(c2ncc3c(n2)CCCC3=O)C1
InChIInChI=1S/C15H20N2O/c1-10-4-2-5-11(8-10)15-16-9-12-13(17-15)6-3-7-14(12)18/h9-11H,2-8H2,1H3
InChIKeyPUNBBAODNKLGGS-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.29
Rot. Bonds1

About 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one

2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 62007667) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID62007667
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CCCC(c2ncc3c(n2)CCCC3=O)C1
InChIInChI=1S/C15H20N2O/c1-10-4-2-5-11(8-10)15-16-9-12-13(17-15)6-3-7-14(12)18/h9-11H,2-8H2,1H3
InChIKeyPUNBBAODNKLGGS-UHFFFAOYSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one (CID 62007667) is 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one is CC1CCCC(c2ncc3c(n2)CCCC3=O)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PUNBBAODNKLGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-4-2-5-11(8-10)15-16-9-12-13(17-15)6-3-7-14(12)18/h9-11H,2-8H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 244.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 62007667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).