3-[2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one

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Basic information

CAS: 924723-08-0
Standard SMILES: O=C(Cn1cnc2ccccc2c1=O)c1ccc(OC(F)F)cc1
InChIKey: GSIGCRWWQCCJNZ-UHFFFAOYSA-N
Molecular formula: C17H12F2N2O3
Average molar mass: 330.28 g/mol
Monoisotopic mass: 330.08159857

Names & identifiers

Preferred name: 3-[2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one
IUPAC: 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one

Names & synonyms

MLS001175051CHEMBL1540473DTXSID501326711HMS2888C153-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-oneAKOS034645751SMR000590408SR-01000819662SR-01000819662-2Z875535833-{2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl}quinazolin-4(3H)-one924723-08-0

Database identifiers

CAS: 924723-08-0
PubChem CID: 7628255
DTXSID: DTXSID501326711
ChEMBL: CHEMBL1540473

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 59 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 504

Experimental & physicochemical properties

Solubility9.2 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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