quinolin-8-yl benzoate

C16H11NO2 — CID 6855

IUPACquinolin-8-yl benzoate
SMILESO=C(Oc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H
InChIKeyBHKPHCKISVSDGV-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.45
Rot. Bonds2

About quinolin-8-yl benzoate

quinolin-8-yl benzoate (PubChem CID 6855) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is quinolin-8-yl benzoate.

Molecular Properties

Compound Namequinolin-8-yl benzoate
PubChem CID6855
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Namequinolin-8-yl benzoate
SMILESO=C(Oc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H
InChIKeyBHKPHCKISVSDGV-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl benzoate?
The IUPAC name of quinolin-8-yl benzoate (CID 6855) is quinolin-8-yl benzoate.
What is the SMILES notation for quinolin-8-yl benzoate?
The canonical SMILES for quinolin-8-yl benzoate is O=C(Oc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of quinolin-8-yl benzoate?
The InChIKey is BHKPHCKISVSDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H.
What are the key properties of quinolin-8-yl benzoate?
quinolin-8-yl benzoate has a molecular weight of 249.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl benzoate is sourced from PubChem (CID 6855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).