2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide

C20H25N5O4 — CID 71703841

About 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide

2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 71703841) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
• PubChem CID: 71703841
• Molecular Formula: C20H25N5O4
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.19
• IUPAC Name: 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
• SMILES: COc1cc2ncn(CC(=O)Nc3c(C)nn(C(C)C)c3C)c(=O)c2cc1OC
• InChI: InChI=1S/C20H25N5O4/c1-11(2)25-13(4)19(12(3)23-25)22-18(26)9-24-10-21-15-8-17(29-6)16(28-5)7-14(15)20(24)27/h7-8,10-11H,9H2,1-6H3,(H,22,26)
• InChIKey: XCOTVYGUVYXROT-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?

The IUPAC name of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide (CID 71703841) is 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide.

What is the SMILES notation for 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?

The canonical SMILES for 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide is COc1cc2ncn(CC(=O)Nc3c(C)nn(C(C)C)c3C)c(=O)c2cc1OC.

What is the InChIKey of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?

The InChIKey is XCOTVYGUVYXROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-11(2)25-13(4)19(12(3)23-25)22-18(26)9-24-10-21-15-8-17(29-6)16(28-5)7-14(15)20(24)27/h7-8,10-11H,9H2,1-6H3,(H,22,26).

What are the key properties of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?

2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71703841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).