2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide

C29H37N7O6 — CID 155263344

About 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide

2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide (PubChem CID 155263344) has the molecular formula C29H37N7O6 and a molecular weight of 579.66 g/mol. Its IUPAC name is 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide
• PubChem CID: 155263344
• Molecular Formula: C29H37N7O6
• Molecular Weight: 579.66 g/mol
• Exact Mass: 579.28
• IUPAC Name: 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide
• SMILES: N/N=N/CCOCCOCC(=O)Nc1ccc2c(=O)n(CC3(O)CCN(C(=O)CCc4ccccc4)CC3)cnc2c1
• InChI: InChI=1S/C29H37N7O6/c30-34-32-12-15-41-16-17-42-19-26(37)33-23-7-8-24-25(18-23)31-21-36(28(24)39)20-29(40)10-13-35(14-11-29)27(38)9-6-22-4-2-1-3-5-22/h1-5,7-8,18,21,40H,6,9-17,19-20H2,(H2,30,32)(H,33,37)
• InChIKey: UGDRKBBYMQUPRR-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 173.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.66
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide?

The IUPAC name of 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide (CID 155263344) is 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide.

What is the SMILES notation for 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide?

The canonical SMILES for 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide is N/N=N/CCOCCOCC(=O)Nc1ccc2c(=O)n(CC3(O)CCN(C(=O)CCc4ccccc4)CC3)cnc2c1.

What is the InChIKey of 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide?

The InChIKey is UGDRKBBYMQUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O6/c30-34-32-12-15-41-16-17-42-19-26(37)33-23-7-8-24-25(18-23)31-21-36(28(24)39)20-29(40)10-13-35(14-11-29)27(38)9-6-22-4-2-1-3-5-22/h1-5,7-8,18,21,40H,6,9-17,19-20H2,(H2,30,32)(H,33,37).

What are the key properties of 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide?

2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide has a molecular weight of 579.66 g/mol, XLogP of 1.68, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide is sourced from PubChem (CID 155263344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).