ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate

C23H18N2O3 — CID 1042824

IUPACethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-2-28-23(27)17-12-14-18(15-13-17)25-21(16-8-4-3-5-9-16)24-20-11-7-6-10-19(20)22(25)26/h3-15H,2H2,1H3
InChIKeyOZZMDBYKWJXCRC-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.23
Rot. Bonds4

About ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate

ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate (PubChem CID 1042824) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate
PubChem CID1042824
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Nameethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-2-28-23(27)17-12-14-18(15-13-17)25-21(16-8-4-3-5-9-16)24-20-11-7-6-10-19(20)22(25)26/h3-15H,2H2,1H3
InChIKeyOZZMDBYKWJXCRC-UHFFFAOYSA-N
XLogP4.23
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate?
The IUPAC name of ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate (CID 1042824) is ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate is CCOC(=O)c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate?
The InChIKey is OZZMDBYKWJXCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-2-28-23(27)17-12-14-18(15-13-17)25-21(16-8-4-3-5-9-16)24-20-11-7-6-10-19(20)22(25)26/h3-15H,2H2,1H3.
What are the key properties of ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate?
ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate has a molecular weight of 370.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate is sourced from PubChem (CID 1042824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).