(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate

C22H16N2O3 — CID 118737680

IUPAC(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate
SMILESCc1cccc(C(=O)On2c(-c3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C22H16N2O3/c1-15-8-7-11-17(14-15)22(26)27-24-20(16-9-3-2-4-10-16)23-19-13-6-5-12-18(19)21(24)25/h2-14H,1H3
InChIKeyGDDCNKAZDCJNGM-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.64
Rot. Bonds3

About (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate

(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate (PubChem CID 118737680) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate.

Molecular Properties

Compound Name(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate
PubChem CID118737680
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate
SMILESCc1cccc(C(=O)On2c(-c3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C22H16N2O3/c1-15-8-7-11-17(14-15)22(26)27-24-20(16-9-3-2-4-10-16)23-19-13-6-5-12-18(19)21(24)25/h2-14H,1H3
InChIKeyGDDCNKAZDCJNGM-UHFFFAOYSA-N
XLogP3.64
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate?
The IUPAC name of (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate (CID 118737680) is (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate.
What is the SMILES notation for (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate?
The canonical SMILES for (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate is Cc1cccc(C(=O)On2c(-c3ccccc3)nc3ccccc3c2=O)c1.
What is the InChIKey of (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate?
The InChIKey is GDDCNKAZDCJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-15-8-7-11-17(14-15)22(26)27-24-20(16-9-3-2-4-10-16)23-19-13-6-5-12-18(19)21(24)25/h2-14H,1H3.
What are the key properties of (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate?
(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate has a molecular weight of 356.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate is sourced from PubChem (CID 118737680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).