(2-oxo-1-phenylquinolin-4-yl) benzoate

C22H15NO3 — CID 2786126

IUPAC(2-oxo-1-phenylquinolin-4-yl) benzoate
SMILESO=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H15NO3/c24-21-15-20(26-22(25)16-9-3-1-4-10-16)18-13-7-8-14-19(18)23(21)17-11-5-2-6-12-17/h1-15H
InChIKeyHABAAYNEGSCYIM-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.21
Rot. Bonds3

About (2-oxo-1-phenylquinolin-4-yl) benzoate

(2-oxo-1-phenylquinolin-4-yl) benzoate (PubChem CID 2786126) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2-oxo-1-phenylquinolin-4-yl) benzoate.

Molecular Properties

Compound Name(2-oxo-1-phenylquinolin-4-yl) benzoate
PubChem CID2786126
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name(2-oxo-1-phenylquinolin-4-yl) benzoate
SMILESO=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H15NO3/c24-21-15-20(26-22(25)16-9-3-1-4-10-16)18-13-7-8-14-19(18)23(21)17-11-5-2-6-12-17/h1-15H
InChIKeyHABAAYNEGSCYIM-UHFFFAOYSA-N
XLogP4.21
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenylquinolin-4-yl) benzoate?
The IUPAC name of (2-oxo-1-phenylquinolin-4-yl) benzoate (CID 2786126) is (2-oxo-1-phenylquinolin-4-yl) benzoate.
What is the SMILES notation for (2-oxo-1-phenylquinolin-4-yl) benzoate?
The canonical SMILES for (2-oxo-1-phenylquinolin-4-yl) benzoate is O=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of (2-oxo-1-phenylquinolin-4-yl) benzoate?
The InChIKey is HABAAYNEGSCYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c24-21-15-20(26-22(25)16-9-3-1-4-10-16)18-13-7-8-14-19(18)23(21)17-11-5-2-6-12-17/h1-15H.
What are the key properties of (2-oxo-1-phenylquinolin-4-yl) benzoate?
(2-oxo-1-phenylquinolin-4-yl) benzoate has a molecular weight of 341.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenylquinolin-4-yl) benzoate is sourced from PubChem (CID 2786126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).