2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide

C26H25N5O3 — CID 135706234

About 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 135706234) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
• PubChem CID: 135706234
• Molecular Formula: C26H25N5O3
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.20
• IUPAC Name: 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
• SMILES: Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1
• InChI: InChI=1S/C26H25N5O3/c1-17-8-7-9-18(14-17)27-25(33)20-11-4-6-13-22(20)29-24(32)16-31(2)15-23-28-21-12-5-3-10-19(21)26(34)30-23/h3-14H,15-16H2,1-2H3,(H,27,33)(H,29,32)(H,28,30,34)
• InChIKey: IVHSYQWAEYXTIT-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 107.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide?

The IUPAC name of 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide (CID 135706234) is 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide.

What is the SMILES notation for 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide?

The canonical SMILES for 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1.

What is the InChIKey of 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide?

The InChIKey is IVHSYQWAEYXTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-17-8-7-9-18(14-17)27-25(33)20-11-4-6-13-22(20)29-24(32)16-31(2)15-23-28-21-12-5-3-10-19(21)26(34)30-23/h3-14H,15-16H2,1-2H3,(H,27,33)(H,29,32)(H,28,30,34).

What are the key properties of 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide?

2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 455.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 135706234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).