6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C14H18N2O2 — CID 82498212

IUPAC6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1cc(OC)c2c(c1)c1c(n2C)CCNC1
InChIInChI=1S/C14H18N2O2/c1-16-12-4-5-15-8-11(12)10-6-9(17-2)7-13(18-3)14(10)16/h6-7,15H,4-5,8H2,1-3H3
InChIKeyWXVXCKIEMNDAEK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.84
Rot. Bonds2

About 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 82498212) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID82498212
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1cc(OC)c2c(c1)c1c(n2C)CCNC1
InChIInChI=1S/C14H18N2O2/c1-16-12-4-5-15-8-11(12)10-6-9(17-2)7-13(18-3)14(10)16/h6-7,15H,4-5,8H2,1-3H3
InChIKeyWXVXCKIEMNDAEK-UHFFFAOYSA-N
XLogP1.84
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 82498212) is 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is COc1cc(OC)c2c(c1)c1c(n2C)CCNC1.
What is the InChIKey of 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is WXVXCKIEMNDAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-12-4-5-15-8-11(12)10-6-9(17-2)7-13(18-3)14(10)16/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 246.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 82498212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).