3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one

C21H26N6O3 — CID 126899134

About 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one

3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126899134) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
• PubChem CID: 126899134
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
• SMILES: COCCn1cnc2cc(N3CCN(Cc4nccn(C)c4=O)CC3)ccc2c1=O
• InChI: InChI=1S/C21H26N6O3/c1-24-6-5-22-19(21(24)29)14-25-7-9-26(10-8-25)16-3-4-17-18(13-16)23-15-27(20(17)28)11-12-30-2/h3-6,13,15H,7-12,14H2,1-2H3
• InChIKey: ORCBJKMPQBPDGC-UHFFFAOYSA-N
• XLogP: 0.46
• TPSA: 85.49 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?

The IUPAC name of 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one (CID 126899134) is 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one.

What is the SMILES notation for 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?

The canonical SMILES for 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one is COCCn1cnc2cc(N3CCN(Cc4nccn(C)c4=O)CC3)ccc2c1=O.

What is the InChIKey of 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?

The InChIKey is ORCBJKMPQBPDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-24-6-5-22-19(21(24)29)14-25-7-9-26(10-8-25)16-3-4-17-18(13-16)23-15-27(20(17)28)11-12-30-2/h3-6,13,15H,7-12,14H2,1-2H3.

What are the key properties of 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?

3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 410.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126899134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).