8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine

C28H30N6 — CID 175860569

About 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine (PubChem CID 175860569) has the molecular formula C28H30N6 and a molecular weight of 450.59 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine
• PubChem CID: 175860569
• Molecular Formula: C28H30N6
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.25
• IUPAC Name: 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine
• SMILES: CN1CCCC(N2C=CC=C(Nc3cc(-c4ccc5ccn(C)c5c4)c4nccnc4c3)C2)C1
• InChI: InChI=1S/C28H30N6/c1-32-12-4-6-24(19-32)34-13-3-5-22(18-34)31-23-16-25(28-26(17-23)29-10-11-30-28)21-8-7-20-9-14-33(2)27(20)15-21/h3,5,7-11,13-17,24,31H,4,6,12,18-19H2,1-2H3
• InChIKey: ZDSKRWZMYLBTLC-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 49.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine?

The IUPAC name of 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine (CID 175860569) is 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine.

What is the SMILES notation for 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine?

The canonical SMILES for 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine is CN1CCCC(N2C=CC=C(Nc3cc(-c4ccc5ccn(C)c5c4)c4nccnc4c3)C2)C1.

What is the InChIKey of 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine?

The InChIKey is ZDSKRWZMYLBTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6/c1-32-12-4-6-24(19-32)34-13-3-5-22(18-34)31-23-16-25(28-26(17-23)29-10-11-30-28)21-8-7-20-9-14-33(2)27(20)15-21/h3,5,7-11,13-17,24,31H,4,6,12,18-19H2,1-2H3.

What are the key properties of 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine?

8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine has a molecular weight of 450.59 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine is sourced from PubChem (CID 175860569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).