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

C14H14N2O — CID 135060003

IUPAC3-methoxy-1,9-dimethylpyrido[3,4-b]indole
SMILESCOc1cc2c3ccccc3n(C)c2c(C)n1
InChIInChI=1S/C14H14N2O/c1-9-14-11(8-13(15-9)17-3)10-6-4-5-7-12(10)16(14)2/h4-8H,1-3H3
InChIKeyMIJFDPWNSRPVAZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.04
Rot. Bonds1

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

3-methoxy-1,9-dimethylpyrido[3,4-b]indole (PubChem CID 135060003) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methoxy-1,9-dimethylpyrido[3,4-b]indole.

Molecular Properties

Compound Name3-methoxy-1,9-dimethylpyrido[3,4-b]indole
PubChem CID135060003
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-methoxy-1,9-dimethylpyrido[3,4-b]indole
SMILESCOc1cc2c3ccccc3n(C)c2c(C)n1
InChIInChI=1S/C14H14N2O/c1-9-14-11(8-13(15-9)17-3)10-6-4-5-7-12(10)16(14)2/h4-8H,1-3H3
InChIKeyMIJFDPWNSRPVAZ-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,9-dimethylpyrido[3,4-b]indole?
The IUPAC name of 3-methoxy-1,9-dimethylpyrido[3,4-b]indole (CID 135060003) is 3-methoxy-1,9-dimethylpyrido[3,4-b]indole.
What is the SMILES notation for 3-methoxy-1,9-dimethylpyrido[3,4-b]indole?
The canonical SMILES for 3-methoxy-1,9-dimethylpyrido[3,4-b]indole is COc1cc2c3ccccc3n(C)c2c(C)n1.
What is the InChIKey of 3-methoxy-1,9-dimethylpyrido[3,4-b]indole?
The InChIKey is MIJFDPWNSRPVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-14-11(8-13(15-9)17-3)10-6-4-5-7-12(10)16(14)2/h4-8H,1-3H3.
What are the key properties of 3-methoxy-1,9-dimethylpyrido[3,4-b]indole?
3-methoxy-1,9-dimethylpyrido[3,4-b]indole has a molecular weight of 226.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,9-dimethylpyrido[3,4-b]indole is sourced from PubChem (CID 135060003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).