N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

C20H19N5O4 — CID 53020224

About N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 53020224) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
• PubChem CID: 53020224
• Molecular Formula: C20H19N5O4
• Molecular Weight: 393.40 g/mol
• Exact Mass: 393.14
• IUPAC Name: N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
• SMILES: COc1ccc(NC(=O)Cn2nc3c4cccc(C)c4ncn3c2=O)c(OC)c1
• InChI: InChI=1S/C20H19N5O4/c1-12-5-4-6-14-18(12)21-11-24-19(14)23-25(20(24)27)10-17(26)22-15-8-7-13(28-2)9-16(15)29-3/h4-9,11H,10H2,1-3H3,(H,22,26)
• InChIKey: YFAZJIADYVSIHO-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.40
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?

The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 53020224) is N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?

The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is COc1ccc(NC(=O)Cn2nc3c4cccc(C)c4ncn3c2=O)c(OC)c1.

What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?

The InChIKey is YFAZJIADYVSIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-12-5-4-6-14-18(12)21-11-24-19(14)23-25(20(24)27)10-17(26)22-15-8-7-13(28-2)9-16(15)29-3/h4-9,11H,10H2,1-3H3,(H,22,26).

What are the key properties of N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?

N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 393.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 53020224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).