quinolin-3-yl benzoate

C16H11NO2 — CID 12858324

IUPACquinolin-3-yl benzoate
SMILESO=C(Oc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16(12-6-2-1-3-7-12)19-14-10-13-8-4-5-9-15(13)17-11-14/h1-11H
InChIKeyMJHSHGAZKVORDV-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.45
Rot. Bonds2

About quinolin-3-yl benzoate

quinolin-3-yl benzoate (PubChem CID 12858324) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is quinolin-3-yl benzoate.

Molecular Properties

Compound Namequinolin-3-yl benzoate
PubChem CID12858324
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Namequinolin-3-yl benzoate
SMILESO=C(Oc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16(12-6-2-1-3-7-12)19-14-10-13-8-4-5-9-15(13)17-11-14/h1-11H
InChIKeyMJHSHGAZKVORDV-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

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Frequently Asked Questions

What is the IUPAC name of quinolin-3-yl benzoate?
The IUPAC name of quinolin-3-yl benzoate (CID 12858324) is quinolin-3-yl benzoate.
What is the SMILES notation for quinolin-3-yl benzoate?
The canonical SMILES for quinolin-3-yl benzoate is O=C(Oc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of quinolin-3-yl benzoate?
The InChIKey is MJHSHGAZKVORDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(12-6-2-1-3-7-12)19-14-10-13-8-4-5-9-15(13)17-11-14/h1-11H.
What are the key properties of quinolin-3-yl benzoate?
quinolin-3-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-3-yl benzoate is sourced from PubChem (CID 12858324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).