7-Chloro-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one

HCID 136229092

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Basic information

CAS: 922189-15-9
Standard SMILES: COc1cc(C=Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc(OC)c1
InChIKey: CGPLHXJZZFOBOV-UHFFFAOYSA-N
Molecular formula: C18H15ClN2O3
Average molar mass: 342.8 g/mol
Monoisotopic mass: 342.07712

Names & identifiers

Preferred name: 7-Chloro-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one
IUPAC: 7-chloro-2-[2-(3,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one

Names & synonyms

DTXSID008406007-chloro-2-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,4-dihydroquinazolin-4-one7-Chloro-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one7-Chloro-2-[2-(3,5-dimethoxyphenyl)ethen-1-yl]quinazolin-4(1H)-one

Database identifiers

CAS: 922189-15-9
PubChem CID: 136229092
DTXSID: DTXSID00840600

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 59.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 510

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