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

C27H27N5O2 — CID 171398449

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

2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398449) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• PubChem CID: 171398449
• Molecular Formula: C27H27N5O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.22
• IUPAC Name: 2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• SMILES: Cn1cc(CN2CC(=O)N3CCN(Cc4ccc5ccccc5n4)CC3C2=O)c2ccccc21
• InChI: InChI=1S/C27H27N5O2/c1-29-14-20(22-7-3-5-9-24(22)29)15-31-18-26(33)32-13-12-30(17-25(32)27(31)34)16-21-11-10-19-6-2-4-8-23(19)28-21/h2-11,14,25H,12-13,15-18H2,1H3
• InChIKey: JGXYFIMYKNODLX-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 61.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398449) is 2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

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

The canonical SMILES for 2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is Cn1cc(CN2CC(=O)N3CCN(Cc4ccc5ccccc5n4)CC3C2=O)c2ccccc21.

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

The InChIKey is JGXYFIMYKNODLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-29-14-20(22-7-3-5-9-24(22)29)15-31-18-26(33)32-13-12-30(17-25(32)27(31)34)16-21-11-10-19-6-2-4-8-23(19)28-21/h2-11,14,25H,12-13,15-18H2,1H3.

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

2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 453.55 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).