7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole

C18H22N2O — CID 118386818

IUPAC7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole
SMILESCCCCCn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C18H22N2O/c1-4-5-6-11-20-17-12-14(21-3)7-8-15(17)16-9-10-19-13(2)18(16)20/h7-10,12H,4-6,11H2,1-3H3
InChIKeyIYOCDYDCSSAFCW-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.70
Rot. Bonds5

About 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole

7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole (PubChem CID 118386818) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole
PubChem CID118386818
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole
SMILESCCCCCn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C18H22N2O/c1-4-5-6-11-20-17-12-14(21-3)7-8-15(17)16-9-10-19-13(2)18(16)20/h7-10,12H,4-6,11H2,1-3H3
InChIKeyIYOCDYDCSSAFCW-UHFFFAOYSA-N
XLogP4.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole (CID 118386818) is 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole is CCCCCn1c2cc(OC)ccc2c2ccnc(C)c21.
What is the InChIKey of 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole?
The InChIKey is IYOCDYDCSSAFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-5-6-11-20-17-12-14(21-3)7-8-15(17)16-9-10-19-13(2)18(16)20/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole?
7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole has a molecular weight of 282.39 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-9-pentylpyrido[3,4-b]indole is sourced from PubChem (CID 118386818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).