5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole

C25H32N2O2 — CID 15925637

IUPAC5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCN2CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-19-23-18-22(29-3)12-13-24(23)27(17-7-6-16-26-14-4-5-15-26)25(19)20-8-10-21(28-2)11-9-20/h8-13,18H,4-7,14-17H2,1-3H3
InChIKeyQLJOBUDGDXEOHD-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.51
Rot. Bonds8

About 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole

5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole (PubChem CID 15925637) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
PubChem CID15925637
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCN2CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-19-23-18-22(29-3)12-13-24(23)27(17-7-6-16-26-14-4-5-15-26)25(19)20-8-10-21(28-2)11-9-20/h8-13,18H,4-7,14-17H2,1-3H3
InChIKeyQLJOBUDGDXEOHD-UHFFFAOYSA-N
XLogP5.51
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole (CID 15925637) is 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole is COc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCN2CCCC2)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole?
The InChIKey is QLJOBUDGDXEOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-19-23-18-22(29-3)12-13-24(23)27(17-7-6-16-26-14-4-5-15-26)25(19)20-8-10-21(28-2)11-9-20/h8-13,18H,4-7,14-17H2,1-3H3.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole?
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole has a molecular weight of 392.54 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole is sourced from PubChem (CID 15925637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).