8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C15H17N3O — CID 55237607

IUPAC8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1cnc2ccccc2n1
InChIInChI=1S/C15H17N3O/c19-12-7-10-5-6-11(8-12)18(10)15-9-16-13-3-1-2-4-14(13)17-15/h1-4,9-12,19H,5-8H2
InChIKeyKPABUSAAUYHDAJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.12
Rot. Bonds1

About 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol

8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237607) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237607
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1cnc2ccccc2n1
InChIInChI=1S/C15H17N3O/c19-12-7-10-5-6-11(8-12)18(10)15-9-16-13-3-1-2-4-14(13)17-15/h1-4,9-12,19H,5-8H2
InChIKeyKPABUSAAUYHDAJ-UHFFFAOYSA-N
XLogP2.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 55237607) is 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1cnc2ccccc2n1.
What is the InChIKey of 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KPABUSAAUYHDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-12-7-10-5-6-11(8-12)18(10)15-9-16-13-3-1-2-4-14(13)17-15/h1-4,9-12,19H,5-8H2.
What are the key properties of 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 255.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-quinoxalin-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).