2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride

C19H22ClN3O — CID 19778092

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride
SMILESCl.Cn1c2ccccc2c2c(=O)n(C3CN4CCC3CC4)ccc21
InChIInChI=1S/C19H21N3O.ClH/c1-20-15-5-3-2-4-14(15)18-16(20)8-11-22(19(18)23)17-12-21-9-6-13(17)7-10-21;/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3;1H
InChIKeyYDPDRSKBZBNPME-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.18
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride

2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride (PubChem CID 19778092) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride
PubChem CID19778092
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride
SMILESCl.Cn1c2ccccc2c2c(=O)n(C3CN4CCC3CC4)ccc21
InChIInChI=1S/C19H21N3O.ClH/c1-20-15-5-3-2-4-14(15)18-16(20)8-11-22(19(18)23)17-12-21-9-6-13(17)7-10-21;/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3;1H
InChIKeyYDPDRSKBZBNPME-UHFFFAOYSA-N
XLogP3.18
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;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-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride (CID 19778092) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride is Cl.Cn1c2ccccc2c2c(=O)n(C3CN4CCC3CC4)ccc21.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride?
The InChIKey is YDPDRSKBZBNPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c1-20-15-5-3-2-4-14(15)18-16(20)8-11-22(19(18)23)17-12-21-9-6-13(17)7-10-21;/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3;1H.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride?
2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride is sourced from PubChem (CID 19778092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).