2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

C23H28N4O2 — CID 135808236

About 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 135808236) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
• PubChem CID: 135808236
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
• SMILES: CCc1ccc([C@@H](C)NC(=O)CN(CC)Cc2nc3ccccc3c(=O)[nH]2)cc1
• InChI: InChI=1S/C23H28N4O2/c1-4-17-10-12-18(13-11-17)16(3)24-22(28)15-27(5-2)14-21-25-20-9-7-6-8-19(20)23(29)26-21/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,28)(H,25,26,29)/t16-/m1/s1
• InChIKey: HBUUMDSSDDXTQH-MRXNPFEDSA-N
• XLogP: 3.18
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?

The IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (CID 135808236) is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@@H](C)NC(=O)CN(CC)Cc2nc3ccccc3c(=O)[nH]2)cc1.

What is the InChIKey of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?

The InChIKey is HBUUMDSSDDXTQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-17-10-12-18(13-11-17)16(3)24-22(28)15-27(5-2)14-21-25-20-9-7-6-8-19(20)23(29)26-21/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,28)(H,25,26,29)/t16-/m1/s1.

What are the key properties of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?

2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 135808236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).