3,7-dimethoxy-9-methylpyrido[3,4-b]indole

C14H14N2O2 — CID 90455764

IUPAC3,7-dimethoxy-9-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3cc(OC)ncc3n(C)c2c1
InChIInChI=1S/C14H14N2O2/c1-16-12-6-9(17-2)4-5-10(12)11-7-14(18-3)15-8-13(11)16/h4-8H,1-3H3
InChIKeyNOGRNBKSVLOFAA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds2

About 3,7-dimethoxy-9-methylpyrido[3,4-b]indole

3,7-dimethoxy-9-methylpyrido[3,4-b]indole (PubChem CID 90455764) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3,7-dimethoxy-9-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name3,7-dimethoxy-9-methylpyrido[3,4-b]indole
PubChem CID90455764
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3,7-dimethoxy-9-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3cc(OC)ncc3n(C)c2c1
InChIInChI=1S/C14H14N2O2/c1-16-12-6-9(17-2)4-5-10(12)11-7-14(18-3)15-8-13(11)16/h4-8H,1-3H3
InChIKeyNOGRNBKSVLOFAA-UHFFFAOYSA-N
XLogP2.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,7-dimethoxy-9-methylpyrido[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

Related Compounds

7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
12-fluoro-4-methoxy-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58354706
4-chloro-6-methoxy-1-methyl-1,7-naphthyridin-2-one
CID 150378394
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate
CID 101049424
methyl 6-methoxy-4-methylfuro[3,2-b]indole-2-carboxylate
CID 132587331
3-chloro-7,9-dimethylpyrido[3,4-b]indole
CID 115038034
3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole
CID 155804063
7-methoxy-1-methylcinnolin-4-one
CID 89165041
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-9-methylpyrido[3,4-b]indole?
The IUPAC name of 3,7-dimethoxy-9-methylpyrido[3,4-b]indole (CID 90455764) is 3,7-dimethoxy-9-methylpyrido[3,4-b]indole.
What is the SMILES notation for 3,7-dimethoxy-9-methylpyrido[3,4-b]indole?
The canonical SMILES for 3,7-dimethoxy-9-methylpyrido[3,4-b]indole is COc1ccc2c3cc(OC)ncc3n(C)c2c1.
What is the InChIKey of 3,7-dimethoxy-9-methylpyrido[3,4-b]indole?
The InChIKey is NOGRNBKSVLOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16-12-6-9(17-2)4-5-10(12)11-7-14(18-3)15-8-13(11)16/h4-8H,1-3H3.
What are the key properties of 3,7-dimethoxy-9-methylpyrido[3,4-b]indole?
3,7-dimethoxy-9-methylpyrido[3,4-b]indole has a molecular weight of 242.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-9-methylpyrido[3,4-b]indole is sourced from PubChem (CID 90455764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).