7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline

C24H30N2O3 — CID 155395806

About 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline

7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 155395806) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline
• PubChem CID: 155395806
• Molecular Formula: C24H30N2O3
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.23
• IUPAC Name: 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline
• SMILES: CCOc1cc2c(cc1OC)CCN(C)C2CCc1c[nH]c2ccc(OC)cc12
• InChI: InChI=1S/C24H30N2O3/c1-5-29-24-14-20-16(12-23(24)28-4)10-11-26(2)22(20)9-6-17-15-25-21-8-7-18(27-3)13-19(17)21/h7-8,12-15,22,25H,5-6,9-11H2,1-4H3
• InChIKey: JNOHDZHJVUPPJC-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 46.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline?

The IUPAC name of 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline (CID 155395806) is 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline is CCOc1cc2c(cc1OC)CCN(C)C2CCc1c[nH]c2ccc(OC)cc12.

What is the InChIKey of 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline?

The InChIKey is JNOHDZHJVUPPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-5-29-24-14-20-16(12-23(24)28-4)10-11-26(2)22(20)9-6-17-15-25-21-8-7-18(27-3)13-19(17)21/h7-8,12-15,22,25H,5-6,9-11H2,1-4H3.

What are the key properties of 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline?

7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 394.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 155395806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).