2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine

C26H26N2O4 — CID 71747977

About 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine

2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine (PubChem CID 71747977) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine.

Molecular Properties

• Compound Name: 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine
• PubChem CID: 71747977
• Molecular Formula: C26H26N2O4
• Molecular Weight: 430.50 g/mol
• Exact Mass: 430.19
• IUPAC Name: 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine
• SMILES: COc1ccc2[nH]c3c(c2c1)Cc1ccccc1NC3c1cc(OC)c(OC)c(OC)c1
• InChI: InChI=1S/C26H26N2O4/c1-29-17-9-10-21-18(14-17)19-11-15-7-5-6-8-20(15)27-24(25(19)28-21)16-12-22(30-2)26(32-4)23(13-16)31-3/h5-10,12-14,24,27-28H,11H2,1-4H3
• InChIKey: RZBPHMAZNMAPCB-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 64.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.50
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine?

The IUPAC name of 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine (CID 71747977) is 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine.

What is the SMILES notation for 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine?

The canonical SMILES for 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine is COc1ccc2[nH]c3c(c2c1)Cc1ccccc1NC3c1cc(OC)c(OC)c(OC)c1.

What is the InChIKey of 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine?

The InChIKey is RZBPHMAZNMAPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-29-17-9-10-21-18(14-17)19-11-15-7-5-6-8-20(15)27-24(25(19)28-21)16-12-22(30-2)26(32-4)23(13-16)31-3/h5-10,12-14,24,27-28H,11H2,1-4H3.

What are the key properties of 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine?

2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine has a molecular weight of 430.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine is sourced from PubChem (CID 71747977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).