9-benzyl-7-methoxypyrido[3,4-b]indole

C19H16N2O — CID 68940620

IUPAC9-benzyl-7-methoxypyrido[3,4-b]indole
SMILESCOc1ccc2c3ccncc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H16N2O/c1-22-15-7-8-16-17-9-10-20-12-19(17)21(18(16)11-15)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyOOTISJJXGJDOSL-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.25
Rot. Bonds3

About 9-benzyl-7-methoxypyrido[3,4-b]indole

9-benzyl-7-methoxypyrido[3,4-b]indole (PubChem CID 68940620) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 9-benzyl-7-methoxypyrido[3,4-b]indole.

Molecular Properties

Compound Name9-benzyl-7-methoxypyrido[3,4-b]indole
PubChem CID68940620
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name9-benzyl-7-methoxypyrido[3,4-b]indole
SMILESCOc1ccc2c3ccncc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H16N2O/c1-22-15-7-8-16-17-9-10-20-12-19(17)21(18(16)11-15)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyOOTISJJXGJDOSL-UHFFFAOYSA-N
XLogP4.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-benzyl-7-methoxypyrido[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 9-benzyl-7-methoxypyrido[3,4-b]indole?
The IUPAC name of 9-benzyl-7-methoxypyrido[3,4-b]indole (CID 68940620) is 9-benzyl-7-methoxypyrido[3,4-b]indole.
What is the SMILES notation for 9-benzyl-7-methoxypyrido[3,4-b]indole?
The canonical SMILES for 9-benzyl-7-methoxypyrido[3,4-b]indole is COc1ccc2c3ccncc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 9-benzyl-7-methoxypyrido[3,4-b]indole?
The InChIKey is OOTISJJXGJDOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-22-15-7-8-16-17-9-10-20-12-19(17)21(18(16)11-15)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 9-benzyl-7-methoxypyrido[3,4-b]indole?
9-benzyl-7-methoxypyrido[3,4-b]indole has a molecular weight of 288.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-methoxypyrido[3,4-b]indole is sourced from PubChem (CID 68940620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).