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

C13H14N2O — CID 3564

IUPAC7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESCOc1ccc2c3c([nH]c2c1)C(C)=NCC3
InChIInChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
InChIKeyRERZNCLIYCABFS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.54
Rot. Bonds1

About 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole

7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole (PubChem CID 3564) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
PubChem CID3564
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESCOc1ccc2c3c([nH]c2c1)C(C)=NCC3
InChIInChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
InChIKeyRERZNCLIYCABFS-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

O-Methylbufotenine
CID 1832
Harmine
CID 5280953
5-Methoxytryptamine
CID 1833
Carazolol
CID 71739
Oxypertine
CID 4640
Arvelexin
CID 119406
Mepindolol
CID 71698
Mahanimbine
CID 167963
Harmalol
CID 3565
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
Harmine Hydrochloride
CID 5359389

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole (CID 3564) is 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole is COc1ccc2c3c([nH]c2c1)C(C)=NCC3.
What is the InChIKey of 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole?
The InChIKey is RERZNCLIYCABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole?
7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole has a molecular weight of 214.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole is sourced from PubChem (CID 3564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).