1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole

C23H28N2O2 — CID 16659556

IUPAC1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole
SMILESCOc1cc(-n2c(C)cc3ccccc32)ccc1OCCCN1CCCC1
InChIInChI=1S/C23H28N2O2/c1-18-16-19-8-3-4-9-21(19)25(18)20-10-11-22(23(17-20)26-2)27-15-7-14-24-12-5-6-13-24/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3
InChIKeyJQMIBQMHBPOLID-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.81
Rot. Bonds7

About 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole

1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole (PubChem CID 16659556) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole.

Molecular Properties

Compound Name1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole
PubChem CID16659556
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole
SMILESCOc1cc(-n2c(C)cc3ccccc32)ccc1OCCCN1CCCC1
InChIInChI=1S/C23H28N2O2/c1-18-16-19-8-3-4-9-21(19)25(18)20-10-11-22(23(17-20)26-2)27-15-7-14-24-12-5-6-13-24/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3
InChIKeyJQMIBQMHBPOLID-UHFFFAOYSA-N
XLogP4.81
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.81
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 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole?
The IUPAC name of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole (CID 16659556) is 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole.
What is the SMILES notation for 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole?
The canonical SMILES for 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole is COc1cc(-n2c(C)cc3ccccc32)ccc1OCCCN1CCCC1.
What is the InChIKey of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole?
The InChIKey is JQMIBQMHBPOLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-16-19-8-3-4-9-21(19)25(18)20-10-11-22(23(17-20)26-2)27-15-7-14-24-12-5-6-13-24/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole?
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole has a molecular weight of 364.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole is sourced from PubChem (CID 16659556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).