Benzoic acid, 4-(7-chloro-2-(2-(4-methoxyphenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, methyl ester
Basic information
- CAS
72889-44-2- Standard SMILES
COC(=O)c1ccc(-n2c(/C=C/c3ccc(OC)cc3)nc3cc(Cl)ccc3c2=O)cc1- InChIKey
CMWWMCMOIGBVIO-LHHJGKSTSA-N- Molecular formula
- C25H19ClN2O4
- Average molar mass
- 446.9 g/mol
- Monoisotopic mass
- 446.1033348
Names & identifiers
- Preferred name
- Benzoic acid, 4-(7-chloro-2-(2-(4-methoxyphenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, methyl ester
- IUPAC
- methyl 4-[7-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
Names & synonyms
Benzoic acid, 4-(7-chloro-2-(2-(4-methoxyphenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, methyl ester72889-44-2RefChem:1079126BRN 0720992
Database identifiers
- CAS
72889-44-2- PubChem CID
- 6447201
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 738
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