(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol

C16H19N3O — CID 162638010

IUPAC(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2c1cnc2ccccc2n1
InChIInChI=1S/C16H19N3O/c20-13-8-11-4-3-5-12(9-13)19(11)16-10-17-14-6-1-2-7-15(14)18-16/h1-2,6-7,10-13,20H,3-5,8-9H2/t11-,12+,13?
InChIKeyAVZRONQUOBBWGF-FUNVUKJBSA-N
MW269.35 g/mol
LogP2.51
Rot. Bonds1

About (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol

(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 162638010) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID162638010
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2c1cnc2ccccc2n1
InChIInChI=1S/C16H19N3O/c20-13-8-11-4-3-5-12(9-13)19(11)16-10-17-14-6-1-2-7-15(14)18-16/h1-2,6-7,10-13,20H,3-5,8-9H2/t11-,12+,13?
InChIKeyAVZRONQUOBBWGF-FUNVUKJBSA-N
XLogP2.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol (CID 162638010) is (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol is OC1C[C@H]2CCC[C@@H](C1)N2c1cnc2ccccc2n1.
What is the InChIKey of (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is AVZRONQUOBBWGF-FUNVUKJBSA-N. The full InChI is InChI=1S/C16H19N3O/c20-13-8-11-4-3-5-12(9-13)19(11)16-10-17-14-6-1-2-7-15(14)18-16/h1-2,6-7,10-13,20H,3-5,8-9H2/t11-,12+,13?.
What are the key properties of (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol?
(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 269.35 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 162638010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).