2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride

C18H20ClN3 — CID 54587721

IUPAC2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
SMILESCl.c1ccc(CCN2CCc3[nH]c4ccccc4c3C2)nc1
InChIInChI=1S/C18H19N3.ClH/c1-2-7-17-15(6-1)16-13-21(12-9-18(16)20-17)11-8-14-5-3-4-10-19-14;/h1-7,10,20H,8-9,11-13H2;1H
InChIKeyWMNPFSVEYCGCQE-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.59
Rot. Bonds3

About 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride

2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride (PubChem CID 54587721) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
PubChem CID54587721
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
SMILESCl.c1ccc(CCN2CCc3[nH]c4ccccc4c3C2)nc1
InChIInChI=1S/C18H19N3.ClH/c1-2-7-17-15(6-1)16-13-21(12-9-18(16)20-17)11-8-14-5-3-4-10-19-14;/h1-7,10,20H,8-9,11-13H2;1H
InChIKeyWMNPFSVEYCGCQE-UHFFFAOYSA-N
XLogP3.59
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride (CID 54587721) is 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride is Cl.c1ccc(CCN2CCc3[nH]c4ccccc4c3C2)nc1.
What is the InChIKey of 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The InChIKey is WMNPFSVEYCGCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.ClH/c1-2-7-17-15(6-1)16-13-21(12-9-18(16)20-17)11-8-14-5-3-4-10-19-14;/h1-7,10,20H,8-9,11-13H2;1H.
What are the key properties of 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 54587721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).