(4-oxo-1,2-dihydroquinazolin-3-yl) benzoate

C15H12N2O3 — CID 15365759

IUPAC(4-oxo-1,2-dihydroquinazolin-3-yl) benzoate
SMILESO=C(ON1CNc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-14-12-8-4-5-9-13(12)16-10-17(14)20-15(19)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKeyWZULCMIBFSSNGX-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.28
Rot. Bonds2

About (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate

(4-oxo-1,2-dihydroquinazolin-3-yl) benzoate (PubChem CID 15365759) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate.

Molecular Properties

Compound Name(4-oxo-1,2-dihydroquinazolin-3-yl) benzoate
PubChem CID15365759
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(4-oxo-1,2-dihydroquinazolin-3-yl) benzoate
SMILESO=C(ON1CNc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-14-12-8-4-5-9-13(12)16-10-17(14)20-15(19)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKeyWZULCMIBFSSNGX-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate?
The IUPAC name of (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate (CID 15365759) is (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate.
What is the SMILES notation for (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate?
The canonical SMILES for (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate is O=C(ON1CNc2ccccc2C1=O)c1ccccc1.
What is the InChIKey of (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate?
The InChIKey is WZULCMIBFSSNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-14-12-8-4-5-9-13(12)16-10-17(14)20-15(19)11-6-2-1-3-7-11/h1-9,16H,10H2.
What are the key properties of (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate?
(4-oxo-1,2-dihydroquinazolin-3-yl) benzoate has a molecular weight of 268.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2-dihydroquinazolin-3-yl) benzoate is sourced from PubChem (CID 15365759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).