(2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol

C17H20N2O2 — CID 101498170

IUPAC(2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C2CCN(CC2)[C@@H]1[C@H](O)c1cccc2ncccc12
InChIInChI=1S/C17H20N2O2/c20-16-11-6-9-19(10-7-11)15(16)17(21)13-3-1-5-14-12(13)4-2-8-18-14/h1-5,8,11,15-17,20-21H,6-7,9-10H2/t15-,16?,17+/m0/s1
InChIKeyAXYXEAVBIQUBRV-RPCGPGEBSA-N
MW284.36 g/mol
LogP1.72
Rot. Bonds2

About (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol

(2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 101498170) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID101498170
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C2CCN(CC2)[C@@H]1[C@H](O)c1cccc2ncccc12
InChIInChI=1S/C17H20N2O2/c20-16-11-6-9-19(10-7-11)15(16)17(21)13-3-1-5-14-12(13)4-2-8-18-14/h1-5,8,11,15-17,20-21H,6-7,9-10H2/t15-,16?,17+/m0/s1
InChIKeyAXYXEAVBIQUBRV-RPCGPGEBSA-N
XLogP1.72
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol with MolForge

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Related Compounds

6-bicyclo[3.1.0]hexanyl(quinolin-5-yl)methanol
CID 115826271
2,3-dihydro-1H-inden-2-yl(quinolin-5-yl)methanol
CID 81209914
(1R)-1-quinolin-5-ylethanol
CID 86326294
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 8350
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 11320
(S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 25203360
1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol
CID 103459285
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;hydrochloride
CID 3035282
(R)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 682015
(S)-[(2R,4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 134840087
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;dihydrochloride
CID 18625690
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrate
CID 173424954

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol (CID 101498170) is (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol is OC1C2CCN(CC2)[C@@H]1[C@H](O)c1cccc2ncccc12.
What is the InChIKey of (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is AXYXEAVBIQUBRV-RPCGPGEBSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-11-6-9-19(10-7-11)15(16)17(21)13-3-1-5-14-12(13)4-2-8-18-14/h1-5,8,11,15-17,20-21H,6-7,9-10H2/t15-,16?,17+/m0/s1.
What are the key properties of (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol?
(2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 284.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-hydroxy(quinolin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 101498170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).