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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Related Compounds

5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
CID 54515191
2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol
CID 15925647
2-(4-hydroxyphenyl)-3-methyl-1-(8-pyrrolidin-1-yloctyl)indol-5-ol
CID 15925649
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(4-methoxyphenyl)-3-methylindole;hydrochloride
CID 10302204
2-[4-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]butyl]isoindole-1,3-dione
CID 14873552
3-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]propyl methanesulfonate
CID 139615904
6-[5-methoxy-3-methyl-2-(4-phenylsulfanylphenyl)indol-1-yl]-1-pyrrolidin-1-ylhexan-1-one
CID 22079874
5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
CID 15925641
N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide
CID 15285893
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(8-pyridin-2-ylsulfanyloctyl)indole
CID 18679830
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 141453727
6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 14873569

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).