2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-one

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Basic information

CAS: 1391908-61-4
Standard SMILES: Cc1cccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c1
InChIKey: BLVJYZMMPDHHHO-MDZDMXLPSA-N
Molecular formula: C17H14N2O
Average molar mass: 262.3 g/mol
Monoisotopic mass: 262.11061307

Names & identifiers

Preferred name: 2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-one
IUPAC: 2-[(E)-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one

Names & synonyms

MLS000716115SMR000277632(E)-2-(3-methylstyryl)quinazolin-4(3H)-oneCHEMBL1540571BDBM49809cid_57681442-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-oneDTXSID101322593HMS2627N21STK601892AKOS000548925AKOS005538400

Show more names

1391908-61-4ST502723522-[(E)-2-(m-tolyl)vinyl]-1H-quinazolin-4-one2-[(Z)-2-(m-tolyl)vinyl]-1H-quinazolin-4-one2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4-ol2-[(E)-2-(3-Methylphenyl)ethenyl]quinazolin-4(3H)-one2-[(1E)-2-(3-methylphenyl)vinyl]-3-hydroquinazolin-4-one2-[(E)-2-(3-METHYLPHENYL)ETHENYL]-3H-QUINAZOLIN-4-ONE

Database identifiers

CAS: 1391908-61-4
PubChem CID: 135455083
DTXSID: DTXSID101322593
ChEMBL: CHEMBL1540571

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 427

Experimental & physicochemical properties

Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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