2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C22H27N4O3+ — CID 135809409

About 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809409) has the molecular formula C22H27N4O3+ and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• PubChem CID: 135809409
• Molecular Formula: C22H27N4O3+
• Molecular Weight: 395.48 g/mol
• Exact Mass: 395.21
• IUPAC Name: 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• SMILES: COCC[NH+](CC(=O)NCCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C22H26N4O3/c1-29-14-13-26(16-21(27)23-12-11-17-7-3-2-4-8-17)15-20-24-19-10-6-5-9-18(19)22(28)25-20/h2-10H,11-16H2,1H3,(H,23,27)(H,24,25,28)/p+1
• InChIKey: AFIAMOFQXSXOAS-UHFFFAOYSA-O
• XLogP: 0.31
• TPSA: 88.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.48
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The IUPAC name of 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809409) is 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

What is the SMILES notation for 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The canonical SMILES for 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is COCC[NH+](CC(=O)NCCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The InChIKey is AFIAMOFQXSXOAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O3/c1-29-14-13-26(16-21(27)23-12-11-17-7-3-2-4-8-17)15-20-24-19-10-6-5-9-18(19)22(28)25-20/h2-10H,11-16H2,1H3,(H,23,27)(H,24,25,28)/p+1.

What are the key properties of 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 395.48 g/mol, XLogP of 0.31, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).