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

C29H24N6O — CID 140874895

About 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 140874895) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
• PubChem CID: 140874895
• Molecular Formula: C29H24N6O
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.20
• IUPAC Name: 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
• SMILES: COc1ccc([C@@H](c2cccnc2)c2cnc3cc(N)cc(-c4ccc5ccn(C)c5c4)c3n2)cn1
• InChI: InChI=1S/C29H24N6O/c1-35-11-9-18-5-6-19(12-26(18)35)23-13-22(30)14-24-29(23)34-25(17-32-24)28(20-4-3-10-31-15-20)21-7-8-27(36-2)33-16-21/h3-17,28H,30H2,1-2H3/t28-/m1/s1
• InChIKey: OQFHGFUBWOPHDW-MUUNZHRXSA-N
• XLogP: 5.35
• TPSA: 91.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The IUPAC name of 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 140874895) is 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

What is the SMILES notation for 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The canonical SMILES for 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is COc1ccc([C@@H](c2cccnc2)c2cnc3cc(N)cc(-c4ccc5ccn(C)c5c4)c3n2)cn1.

What is the InChIKey of 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The InChIKey is OQFHGFUBWOPHDW-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H24N6O/c1-35-11-9-18-5-6-19(12-26(18)35)23-13-22(30)14-24-29(23)34-25(17-32-24)28(20-4-3-10-31-15-20)21-7-8-27(36-2)33-16-21/h3-17,28H,30H2,1-2H3/t28-/m1/s1.

What are the key properties of 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?

2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 472.55 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 140874895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).