9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol

C24H26N2O — CID 171956245

IUPAC9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2cnc3ccccc3c2)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H26N2O/c27-24(20-13-19-9-4-5-12-23(19)25-16-20)14-21-10-6-11-22(15-24)26(21)17-18-7-2-1-3-8-18/h1-5,7-9,12-13,16,21-22,27H,6,10-11,14-15,17H2
InChIKeyMQOQTLMCHYWEKS-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.64
Rot. Bonds3

About 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171956245) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171956245
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2cnc3ccccc3c2)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H26N2O/c27-24(20-13-19-9-4-5-12-23(19)25-16-20)14-21-10-6-11-22(15-24)26(21)17-18-7-2-1-3-8-18/h1-5,7-9,12-13,16,21-22,27H,6,10-11,14-15,17H2
InChIKeyMQOQTLMCHYWEKS-UHFFFAOYSA-N
XLogP4.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959981
9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957681
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
CID 103564190
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171956091
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704
6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile
CID 171958174
8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954342
9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957974
9H-fluoren-9-ylmethyl 3-hydroxy-3-quinolin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956236

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171956245) is 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol is OC1(c2cnc3ccccc3c2)CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is MQOQTLMCHYWEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c27-24(20-13-19-9-4-5-12-23(19)25-16-20)14-21-10-6-11-22(15-24)26(21)17-18-7-2-1-3-8-18/h1-5,7-9,12-13,16,21-22,27H,6,10-11,14-15,17H2.
What are the key properties of 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 358.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171956245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).