Benzoic acid, 4-(2-(2-(4-chlorophenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
Basic information
- CAS
65268-66-8- Standard SMILES
CCOC(=O)c1ccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1- InChIKey
BGCUCNDRXUXHMU-CXUHLZMHSA-N- Molecular formula
- C25H19ClN2O3
- Average molar mass
- 430.9 g/mol
- Monoisotopic mass
- 430.1084202
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-(2-(4-chlorophenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
- IUPAC
- ethyl 4-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
Names & synonyms
Benzoic acid, 4-(2-(2-(4-chlorophenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, ethyl ester65268-66-8RefChem:1079107BRN 6002745Ethyl 4-(2-(2-(4-chlorophenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)benzoate
Database identifiers
- CAS
65268-66-8- PubChem CID
- 6446737
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
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