N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine

C30H26N6O — CID 122688936

About N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 122688936) has the molecular formula C30H26N6O and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine
• PubChem CID: 122688936
• Molecular Formula: C30H26N6O
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.22
• IUPAC Name: N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine
• SMILES: COc1ccc(C(c2cccnc2)N(C)c2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1
• InChI: InChI=1S/C30H26N6O/c1-35-14-10-20-6-7-21(15-27(20)35)25-16-24(17-26-29(25)33-13-12-32-26)36(2)30(22-5-4-11-31-18-22)23-8-9-28(37-3)34-19-23/h4-19,30H,1-3H3
• InChIKey: SMFHUIUVOAOIGI-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 68.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The IUPAC name of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 122688936) is N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine.

What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The canonical SMILES for N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine is COc1ccc(C(c2cccnc2)N(C)c2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1.

What is the InChIKey of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The InChIKey is SMFHUIUVOAOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O/c1-35-14-10-20-6-7-21(15-27(20)35)25-16-24(17-26-29(25)33-13-12-32-26)36(2)30(22-5-4-11-31-18-22)23-8-9-28(37-3)34-19-23/h4-19,30H,1-3H3.

What are the key properties of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine?

N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 486.58 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 122688936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).