6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C15H20N2O — CID 84741614

IUPAC6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1cc(C)cc2c3c(n(C)c12)CC(C)NC3
InChIInChI=1S/C15H20N2O/c1-9-5-11-12-8-16-10(2)7-13(12)17(3)15(11)14(6-9)18-4/h5-6,10,16H,7-8H2,1-4H3
InChIKeyZFEUKBZWGVLXCI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.53
Rot. Bonds1

About 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 84741614) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID84741614
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1cc(C)cc2c3c(n(C)c12)CC(C)NC3
InChIInChI=1S/C15H20N2O/c1-9-5-11-12-8-16-10(2)7-13(12)17(3)15(11)14(6-9)18-4/h5-6,10,16H,7-8H2,1-4H3
InChIKeyZFEUKBZWGVLXCI-UHFFFAOYSA-N
XLogP2.53
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
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 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 84741614) is 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is COc1cc(C)cc2c3c(n(C)c12)CC(C)NC3.
What is the InChIKey of 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is ZFEUKBZWGVLXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-5-11-12-8-16-10(2)7-13(12)17(3)15(11)14(6-9)18-4/h5-6,10,16H,7-8H2,1-4H3.
What are the key properties of 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 244.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 84741614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).