1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

C24H25N5O4 — CID 50775359

About 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 50775359) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

• Compound Name: 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
• PubChem CID: 50775359
• Molecular Formula: C24H25N5O4
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.19
• IUPAC Name: 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
• SMILES: CC(C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(CC(=O)c4ccccc4)c(=O)n3c2c1
• InChI: InChI=1S/C24H25N5O4/c1-14(2)25-21(31)17-10-11-18-19(12-17)29-23(28(15(3)4)22(18)32)26-27(24(29)33)13-20(30)16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3,(H,25,31)
• InChIKey: SJLSFSJWOVHFIZ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 107.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The IUPAC name of 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 50775359) is 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

What is the SMILES notation for 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The canonical SMILES for 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is CC(C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(CC(=O)c4ccccc4)c(=O)n3c2c1.

What is the InChIKey of 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The InChIKey is SJLSFSJWOVHFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-14(2)25-21(31)17-10-11-18-19(12-17)29-23(28(15(3)4)22(18)32)26-27(24(29)33)13-20(30)16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3,(H,25,31).

What are the key properties of 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50775359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).