2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

C26H24N4O3 — CID 171398339

About 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398339) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• PubChem CID: 171398339
• Molecular Formula: C26H24N4O3
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.18
• IUPAC Name: 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• SMILES: O=C1C2CN(Cc3ccc4ncccc4c3)CCN2C(=O)CN1Cc1cc2ccccc2o1
• InChI: InChI=1S/C26H24N4O3/c31-25-17-29(15-21-13-20-4-1-2-6-24(20)33-21)26(32)23-16-28(10-11-30(23)25)14-18-7-8-22-19(12-18)5-3-9-27-22/h1-9,12-13,23H,10-11,14-17H2
• InChIKey: WHQHZFUHIVYOIP-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 69.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The IUPAC name of 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398339) is 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

What is the SMILES notation for 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The canonical SMILES for 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is O=C1C2CN(Cc3ccc4ncccc4c3)CCN2C(=O)CN1Cc1cc2ccccc2o1.

What is the InChIKey of 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The InChIKey is WHQHZFUHIVYOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25-17-29(15-21-13-20-4-1-2-6-24(20)33-21)26(32)23-16-28(10-11-30(23)25)14-18-7-8-22-19(12-18)5-3-9-27-22/h1-9,12-13,23H,10-11,14-17H2.

What are the key properties of 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 440.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).