2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one

C19H21N3O2 — CID 19778097

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one
SMILESCn1c2ccc(O)cc2c2c(=O)n(C3CN4CCC3CC4)ccc21
InChIInChI=1S/C19H21N3O2/c1-20-15-3-2-13(23)10-14(15)18-16(20)6-9-22(19(18)24)17-11-21-7-4-12(17)5-8-21/h2-3,6,9-10,12,17,23H,4-5,7-8,11H2,1H3
InChIKeyJUIJKYDLKVUFOU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.47
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one

2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one (PubChem CID 19778097) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one
PubChem CID19778097
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one
SMILESCn1c2ccc(O)cc2c2c(=O)n(C3CN4CCC3CC4)ccc21
InChIInChI=1S/C19H21N3O2/c1-20-15-3-2-13(23)10-14(15)18-16(20)6-9-22(19(18)24)17-11-21-7-4-12(17)5-8-21/h2-3,6,9-10,12,17,23H,4-5,7-8,11H2,1H3
InChIKeyJUIJKYDLKVUFOU-UHFFFAOYSA-N
XLogP2.47
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one (CID 19778097) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one is Cn1c2ccc(O)cc2c2c(=O)n(C3CN4CCC3CC4)ccc21.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one?
The InChIKey is JUIJKYDLKVUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-20-15-3-2-13(23)10-14(15)18-16(20)6-9-22(19(18)24)17-11-21-7-4-12(17)5-8-21/h2-3,6,9-10,12,17,23H,4-5,7-8,11H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one?
2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one has a molecular weight of 323.40 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one is sourced from PubChem (CID 19778097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).