8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine

C26H23N5 — CID 122689341

About 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine (PubChem CID 122689341) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine
• PubChem CID: 122689341
• Molecular Formula: C26H23N5
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.20
• IUPAC Name: 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine
• SMILES: Cn1ccc2ccc(-c3cc(N[C@H]4CCCc5ccncc54)cc4nccnc34)cc21
• InChI: InChI=1S/C26H23N5/c1-31-12-8-18-5-6-19(13-25(18)31)21-14-20(15-24-26(21)29-11-10-28-24)30-23-4-2-3-17-7-9-27-16-22(17)23/h5-16,23,30H,2-4H2,1H3/t23-/m0/s1
• InChIKey: ZUVHBLLISPQAFW-QHCPKHFHSA-N
• XLogP: 5.67
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine?

The IUPAC name of 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine (CID 122689341) is 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine.

What is the SMILES notation for 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine?

The canonical SMILES for 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine is Cn1ccc2ccc(-c3cc(N[C@H]4CCCc5ccncc54)cc4nccnc34)cc21.

What is the InChIKey of 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine?

The InChIKey is ZUVHBLLISPQAFW-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23N5/c1-31-12-8-18-5-6-19(13-25(18)31)21-14-20(15-24-26(21)29-11-10-28-24)30-23-4-2-3-17-7-9-27-16-22(17)23/h5-16,23,30H,2-4H2,1H3/t23-/m0/s1.

What are the key properties of 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine?

8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine has a molecular weight of 405.51 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine is sourced from PubChem (CID 122689341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).