8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine

C27H24N4 — CID 122689430

About 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine (PubChem CID 122689430) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine
• PubChem CID: 122689430
• Molecular Formula: C27H24N4
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.20
• IUPAC Name: 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine
• SMILES: Cn1ccc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)cc4nccnc34)cc21
• InChI: InChI=1S/C27H24N4/c1-31-14-11-19-9-10-20(15-26(19)31)23-16-21(17-25-27(23)29-13-12-28-25)30-24-8-4-6-18-5-2-3-7-22(18)24/h2-3,5,7,9-17,24,30H,4,6,8H2,1H3/t24-/m1/s1
• InChIKey: FJFJMTVXPRWXNX-XMMPIXPASA-N
• XLogP: 6.28
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine?

The IUPAC name of 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine (CID 122689430) is 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine.

What is the SMILES notation for 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine?

The canonical SMILES for 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine is Cn1ccc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)cc4nccnc34)cc21.

What is the InChIKey of 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine?

The InChIKey is FJFJMTVXPRWXNX-XMMPIXPASA-N. The full InChI is InChI=1S/C27H24N4/c1-31-14-11-19-9-10-20(15-26(19)31)23-16-21(17-25-27(23)29-13-12-28-25)30-24-8-4-6-18-5-2-3-7-22(18)24/h2-3,5,7,9-17,24,30H,4,6,8H2,1H3/t24-/m1/s1.

What are the key properties of 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine?

8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine has a molecular weight of 404.52 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine is sourced from PubChem (CID 122689430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).