7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole

C13H14N2O — CID 118384447

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

About 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole

7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole (PubChem CID 118384447) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole
PubChem CID118384447
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole
SMILESCOc1ccc2c3c(n(C)c2c1)C=NCC3
InChIInChI=1S/C13H14N2O/c1-15-12-7-9(16-2)3-4-10(12)11-5-6-14-8-13(11)15/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUQRVIRARGUQWGY-UHFFFAOYSA-N
XLogP2.16
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole (CID 118384447) is 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole is COc1ccc2c3c(n(C)c2c1)C=NCC3.
What is the InChIKey of 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole?
The InChIKey is UQRVIRARGUQWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-12-7-9(16-2)3-4-10(12)11-5-6-14-8-13(11)15/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole?
7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole has a molecular weight of 214.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole is sourced from PubChem (CID 118384447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).