3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol

C15H16N2O2 — CID 171956313

IUPAC3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccc3nccnc3c2)CC2CCC(C1)O2
InChIInChI=1S/C15H16N2O2/c18-15(8-11-2-3-12(9-15)19-11)10-1-4-13-14(7-10)17-6-5-16-13/h1,4-7,11-12,18H,2-3,8-9H2
InChIKeyNWWIUFCXBGLUEP-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.16
Rot. Bonds1

About 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol

3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171956313) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171956313
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccc3nccnc3c2)CC2CCC(C1)O2
InChIInChI=1S/C15H16N2O2/c18-15(8-11-2-3-12(9-15)19-11)10-1-4-13-14(7-10)17-6-5-16-13/h1,4-7,11-12,18H,2-3,8-9H2
InChIKeyNWWIUFCXBGLUEP-UHFFFAOYSA-N
XLogP2.16
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol (CID 171956313) is 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol is OC1(c2ccc3nccnc3c2)CC2CCC(C1)O2.
What is the InChIKey of 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is NWWIUFCXBGLUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(8-11-2-3-12(9-15)19-11)10-1-4-13-14(7-10)17-6-5-16-13/h1,4-7,11-12,18H,2-3,8-9H2.
What are the key properties of 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol?
3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 256.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171956313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).