6-methoxy-1-methyl-9H-pyrido[3,4-b]indole

C13H12N2O — CID 5376026

IUPAC6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(C)nccc3c2c1
InChIInChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3
InChIKeyXYYVPBBISSKKQB-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.03
Rot. Bonds1

About 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole

6-methoxy-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 5376026) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID5376026
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(C)nccc3c2c1
InChIInChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3
InChIKeyXYYVPBBISSKKQB-UHFFFAOYSA-N
XLogP3.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole (CID 5376026) is 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole is COc1ccc2[nH]c3c(C)nccc3c2c1.
What is the InChIKey of 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is XYYVPBBISSKKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3.
What are the key properties of 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
6-methoxy-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 212.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 5376026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).