Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
Basic information
- CAS
68100-68-5- Standard SMILES
CCOC(=O)c1ccc(-n2c(CC)nc3ccccc3c2=O)cc1- InChIKey
OUTRQKYKDWRGEN-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13174244
Names & identifiers
- Preferred name
- Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
- IUPAC
- ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
Names & synonyms
ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoateethyl 4-(2-ethyl-4-oxoquinazolin-3(4H)-yl)benzoateBAS 0542199968100-68-5MLS000707317CHEMBL1733821DTXSID301331554HMS2734F19STL334897AKOS000510776SMR000288782ST50277767
Show more names
SR-01000365653SR-01000365653-1
Database identifiers
- CAS
68100-68-5- PubChem CID
- 948855
- DTXSID
DTXSID301331554- ChEMBL
CHEMBL1733821
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 509
Experimental & physicochemical properties
Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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