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

C22H26N4O3 — CID 135809400

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

2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 135809400) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
• PubChem CID: 135809400
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: 2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
• SMILES: COCCN(CC(=O)N[C@H](C)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C22H26N4O3/c1-16(17-8-4-3-5-9-17)23-21(27)15-26(12-13-29-2)14-20-24-19-11-7-6-10-18(19)22(28)25-20/h3-11,16H,12-15H2,1-2H3,(H,23,27)(H,24,25,28)/t16-/m1/s1
• InChIKey: DXBJYSMLIHXYFJ-MRXNPFEDSA-N
• XLogP: 2.25
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide (CID 135809400) is 2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide.

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

The canonical SMILES for 2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide is COCCN(CC(=O)N[C@H](C)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1.

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

The InChIKey is DXBJYSMLIHXYFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(17-8-4-3-5-9-17)23-21(27)15-26(12-13-29-2)14-20-24-19-11-7-6-10-18(19)22(28)25-20/h3-11,16H,12-15H2,1-2H3,(H,23,27)(H,24,25,28)/t16-/m1/s1.

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

2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 135809400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).