oxo(quinolin-8-yloxy)borane

C9H6BNO2 — CID 54325003

IUPACoxo(quinolin-8-yloxy)borane
SMILESO=BOc1cccc2cccnc12
InChIInChI=1S/C9H6BNO2/c12-10-13-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKeySUHGPKNOPZZBLJ-UHFFFAOYSA-N
MW170.96 g/mol
LogP1.58
Rot. Bonds2

About oxo(quinolin-8-yloxy)borane

oxo(quinolin-8-yloxy)borane (PubChem CID 54325003) has the molecular formula C9H6BNO2 and a molecular weight of 170.96 g/mol. Its IUPAC name is oxo(quinolin-8-yloxy)borane.

Molecular Properties

Compound Nameoxo(quinolin-8-yloxy)borane
PubChem CID54325003
Molecular FormulaC9H6BNO2
Molecular Weight170.96 g/mol
Exact Mass171.05
IUPAC Nameoxo(quinolin-8-yloxy)borane
SMILESO=BOc1cccc2cccnc12
InChIInChI=1S/C9H6BNO2/c12-10-13-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKeySUHGPKNOPZZBLJ-UHFFFAOYSA-N
XLogP1.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.96
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tri(quinolin-8-yloxy)alumane
CID 16683111
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
CID 137322014
CID 137322014
8-(chloromethoxy)quinoline
CID 79531226
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-quinolin-8-yloxyacetate
CID 6950984
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
sodium;copper(1+);quinolin-8-yl phosphite
CID 175504092
2-quinolin-8-yloxyethanamine
CID 17174906
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
CID 69338104
CID 69338104

Frequently Asked Questions

What is the IUPAC name of oxo(quinolin-8-yloxy)borane?
The IUPAC name of oxo(quinolin-8-yloxy)borane (CID 54325003) is oxo(quinolin-8-yloxy)borane.
What is the SMILES notation for oxo(quinolin-8-yloxy)borane?
The canonical SMILES for oxo(quinolin-8-yloxy)borane is O=BOc1cccc2cccnc12.
What is the InChIKey of oxo(quinolin-8-yloxy)borane?
The InChIKey is SUHGPKNOPZZBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BNO2/c12-10-13-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H.
What are the key properties of oxo(quinolin-8-yloxy)borane?
oxo(quinolin-8-yloxy)borane has a molecular weight of 170.96 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(quinolin-8-yloxy)borane is sourced from PubChem (CID 54325003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).