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

C21H24N4O2 — CID 135968817

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

2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide (PubChem CID 135968817) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
• PubChem CID: 135968817
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
• SMILES: Cc1ccccc1[C@@H](C)NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C21H24N4O2/c1-14-8-4-5-9-16(14)15(2)22-20(26)13-25(3)12-19-23-18-11-7-6-10-17(18)21(27)24-19/h4-11,15H,12-13H2,1-3H3,(H,22,26)(H,23,24,27)/t15-/m1/s1
• InChIKey: ZBCMHSUXCWCDHX-OAHLLOKOSA-N
• XLogP: 2.54
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide (CID 135968817) is 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide.

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

The canonical SMILES for 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1[C@@H](C)NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1.

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

The InChIKey is ZBCMHSUXCWCDHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-8-4-5-9-16(14)15(2)22-20(26)13-25(3)12-19-23-18-11-7-6-10-17(18)21(27)24-19/h4-11,15H,12-13H2,1-3H3,(H,22,26)(H,23,24,27)/t15-/m1/s1.

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

2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 135968817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).