5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C23H22N6O3 — CID 42897177

About 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 42897177) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
• PubChem CID: 42897177
• Molecular Formula: C23H22N6O3
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.18
• IUPAC Name: 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
• SMILES: Cn1c(=O)c2ccccc2n2c(CN3C(=O)NC(C)(CCc4ccccc4)C3=O)nnc12
• InChI: InChI=1S/C23H22N6O3/c1-23(13-12-15-8-4-3-5-9-15)20(31)28(22(32)24-23)14-18-25-26-21-27(2)19(30)16-10-6-7-11-17(16)29(18)21/h3-11H,12-14H2,1-2H3,(H,24,32)
• InChIKey: WPVXDTTYXZILIC-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 101.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?

The IUPAC name of 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 42897177) is 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is Cn1c(=O)c2ccccc2n2c(CN3C(=O)NC(C)(CCc4ccccc4)C3=O)nnc12.

What is the InChIKey of 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?

The InChIKey is WPVXDTTYXZILIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-23(13-12-15-8-4-3-5-9-15)20(31)28(22(32)24-23)14-18-25-26-21-27(2)19(30)16-10-6-7-11-17(16)29(18)21/h3-11H,12-14H2,1-2H3,(H,24,32).

What are the key properties of 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?

5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 430.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42897177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).