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

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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).