2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide

C22H31IN4O3 — CID 110052603

About 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide

2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 110052603) has the molecular formula C22H31IN4O3 and a molecular weight of 526.42 g/mol. Its IUPAC name is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
• PubChem CID: 110052603
• Molecular Formula: C22H31IN4O3
• Molecular Weight: 526.42 g/mol
• Exact Mass: 526.14
• IUPAC Name: 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCCc1cc2c(OC)cc(OC)cc2[nH]1)NCCc1ccco1.I
• InChI: InChI=1S/C22H30N4O3.HI/c1-4-23-22(25-11-9-17-8-6-12-29-17)24-10-5-7-16-13-19-20(26-16)14-18(27-2)15-21(19)28-3;/h6,8,12-15,26H,4-5,7,9-11H2,1-3H3,(H2,23,24,25);1H
• InChIKey: JPLLJMCRNGEHRL-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 83.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.42
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?

The IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide (CID 110052603) is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide.

What is the SMILES notation for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?

The canonical SMILES for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCCc1cc2c(OC)cc(OC)cc2[nH]1)NCCc1ccco1.I.

What is the InChIKey of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?

The InChIKey is JPLLJMCRNGEHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3.HI/c1-4-23-22(25-11-9-17-8-6-12-29-17)24-10-5-7-16-13-19-20(26-16)14-18(27-2)15-21(19)28-3;/h6,8,12-15,26H,4-5,7,9-11H2,1-3H3,(H2,23,24,25);1H.

What are the key properties of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?

2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 526.42 g/mol, XLogP of 4.13, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110052603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).