(3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol

C22H22N2O — CID 10404387

IUPAC(3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@]1(c2ccc(-c3ccc4ncccc4c3)cc2)CN2CCC1CC2
InChIInChI=1S/C22H22N2O/c25-22(15-24-12-9-20(22)10-13-24)19-6-3-16(4-7-19)17-5-8-21-18(14-17)2-1-11-23-21/h1-8,11,14,20,25H,9-10,12-13,15H2/t22-/m0/s1
InChIKeyJICDBMXIQNEXKV-QFIPXVFZSA-N
MW330.43 g/mol
LogP3.82
Rot. Bonds2

About (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol

(3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 10404387) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID10404387
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@]1(c2ccc(-c3ccc4ncccc4c3)cc2)CN2CCC1CC2
InChIInChI=1S/C22H22N2O/c25-22(15-24-12-9-20(22)10-13-24)19-6-3-16(4-7-19)17-5-8-21-18(14-17)2-1-11-23-21/h1-8,11,14,20,25H,9-10,12-13,15H2/t22-/m0/s1
InChIKeyJICDBMXIQNEXKV-QFIPXVFZSA-N
XLogP3.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol (CID 10404387) is (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol is O[C@]1(c2ccc(-c3ccc4ncccc4c3)cc2)CN2CCC1CC2.
What is the InChIKey of (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is JICDBMXIQNEXKV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(15-24-12-9-20(22)10-13-24)19-6-3-16(4-7-19)17-5-8-21-18(14-17)2-1-11-23-21/h1-8,11,14,20,25H,9-10,12-13,15H2/t22-/m0/s1.
What are the key properties of (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol?
(3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 330.43 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 10404387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).