8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride

C13H17ClN2O — CID 6603521

IUPAC8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CN(C)CC3.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-15-6-5-13-11(8-15)10-7-9(16-2)3-4-12(10)14-13;/h3-4,7,14H,5-6,8H2,1-2H3;1H
InChIKeyXWZXWLZDSTXWMB-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.59
Rot. Bonds1

About 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride

8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride (PubChem CID 6603521) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
PubChem CID6603521
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CN(C)CC3.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-15-6-5-13-11(8-15)10-7-9(16-2)3-4-12(10)14-13;/h3-4,7,14H,5-6,8H2,1-2H3;1H
InChIKeyXWZXWLZDSTXWMB-UHFFFAOYSA-N
XLogP2.59
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride (CID 6603521) is 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride is COc1ccc2[nH]c3c(c2c1)CN(C)CC3.Cl.
What is the InChIKey of 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The InChIKey is XWZXWLZDSTXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-15-6-5-13-11(8-15)10-7-9(16-2)3-4-12(10)14-13;/h3-4,7,14H,5-6,8H2,1-2H3;1H.
What are the key properties of 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 6603521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).