1,9-dimethylpyrido[3,4-b]indole

C13H12N2 — CID 10420214

IUPAC1,9-dimethylpyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(C)c12
InChIInChI=1S/C13H12N2/c1-9-13-11(7-8-14-9)10-5-3-4-6-12(10)15(13)2/h3-8H,1-2H3
InChIKeyLQSZHLJVECITAY-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.03
Rot. Bonds

About 1,9-dimethylpyrido[3,4-b]indole

1,9-dimethylpyrido[3,4-b]indole (PubChem CID 10420214) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,9-dimethylpyrido[3,4-b]indole.

Molecular Properties

Compound Name1,9-dimethylpyrido[3,4-b]indole
PubChem CID10420214
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1,9-dimethylpyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(C)c12
InChIInChI=1S/C13H12N2/c1-9-13-11(7-8-14-9)10-5-3-4-6-12(10)15(13)2/h3-8H,1-2H3
InChIKeyLQSZHLJVECITAY-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,9-dimethylpyrido[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 1,9-dimethylpyrido[3,4-b]indole?
The IUPAC name of 1,9-dimethylpyrido[3,4-b]indole (CID 10420214) is 1,9-dimethylpyrido[3,4-b]indole.
What is the SMILES notation for 1,9-dimethylpyrido[3,4-b]indole?
The canonical SMILES for 1,9-dimethylpyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(C)c12.
What is the InChIKey of 1,9-dimethylpyrido[3,4-b]indole?
The InChIKey is LQSZHLJVECITAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-9-13-11(7-8-14-9)10-5-3-4-6-12(10)15(13)2/h3-8H,1-2H3.
What are the key properties of 1,9-dimethylpyrido[3,4-b]indole?
1,9-dimethylpyrido[3,4-b]indole has a molecular weight of 196.25 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethylpyrido[3,4-b]indole is sourced from PubChem (CID 10420214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).