2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C22H24N5O3+ — CID 135809303

About 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809303) has the molecular formula C22H24N5O3+ and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• PubChem CID: 135809303
• Molecular Formula: C22H24N5O3+
• Molecular Weight: 406.47 g/mol
• Exact Mass: 406.19
• IUPAC Name: 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• SMILES: COCC[NH+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C22H23N5O3/c1-15-7-8-20-23-16(11-21(28)27(20)12-15)13-26(9-10-30-2)14-19-24-18-6-4-3-5-17(18)22(29)25-19/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,25,29)/p+1
• InChIKey: WKXVLBRZEAUHDS-UHFFFAOYSA-O
• XLogP: 0.47
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.47
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The IUPAC name of 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809303) is 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

What is the SMILES notation for 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The canonical SMILES for 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is COCC[NH+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The InChIKey is WKXVLBRZEAUHDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23N5O3/c1-15-7-8-20-23-16(11-21(28)27(20)12-15)13-26(9-10-30-2)14-19-24-18-6-4-3-5-17(18)22(29)25-19/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,25,29)/p+1.

What are the key properties of 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 406.47 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).