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

C24H28N4O — CID 66505815

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

2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505815) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

• Compound Name: 2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• PubChem CID: 66505815
• Molecular Formula: C24H28N4O
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.23
• IUPAC Name: 2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• SMILES: CC(C)c1ccc(C2CC(=O)c3cnc4nc(C5CCCCC5)nn4c3C2)cc1
• InChI: InChI=1S/C24H28N4O/c1-15(2)16-8-10-17(11-9-16)19-12-21-20(22(29)13-19)14-25-24-26-23(27-28(21)24)18-6-4-3-5-7-18/h8-11,14-15,18-19H,3-7,12-13H2,1-2H3
• InChIKey: KYURNGRUAXHWLK-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 60.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505815) is 2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

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

The canonical SMILES for 2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CC(C)c1ccc(C2CC(=O)c3cnc4nc(C5CCCCC5)nn4c3C2)cc1.

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

The InChIKey is KYURNGRUAXHWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15(2)16-8-10-17(11-9-16)19-12-21-20(22(29)13-19)14-25-24-26-23(27-28(21)24)18-6-4-3-5-7-18/h8-11,14-15,18-19H,3-7,12-13H2,1-2H3.

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

2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 388.52 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).