2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C22H24N4O — CID 66508115

About 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66508115) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

• Compound Name: 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• PubChem CID: 66508115
• Molecular Formula: C22H24N4O
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.20
• IUPAC Name: 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• SMILES: Cc1cccc(C2CC(=O)c3cnc4nc(C5CCCCC5)nn4c3C2)c1
• InChI: InChI=1S/C22H24N4O/c1-14-6-5-9-16(10-14)17-11-19-18(20(27)12-17)13-23-22-24-21(25-26(19)22)15-7-3-2-4-8-15/h5-6,9-10,13,15,17H,2-4,7-8,11-12H2,1H3
• InChIKey: FKOYRTSQMBOVHI-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 60.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The IUPAC name of 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66508115) is 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

What is the SMILES notation for 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The canonical SMILES for 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is Cc1cccc(C2CC(=O)c3cnc4nc(C5CCCCC5)nn4c3C2)c1.

What is the InChIKey of 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The InChIKey is FKOYRTSQMBOVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-6-5-9-16(10-14)17-11-19-18(20(27)12-17)13-23-22-24-21(25-26(19)22)15-7-3-2-4-8-15/h5-6,9-10,13,15,17H,2-4,7-8,11-12H2,1H3.

What are the key properties of 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 360.46 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66508115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).