3-[2-(4-Bromophenyl)-2-oxoethyl]quinazolin-4-one

HCID 738367

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Basic information

CAS: 60007-52-5
Standard SMILES: O=C(Cn1cnc2ccccc2c1=O)c1ccc(Br)cc1
InChIKey: ROIYTXOVLMPSOI-UHFFFAOYSA-N
Molecular formula: C16H11BrN2O2
Average molar mass: 343.17 g/mol
Monoisotopic mass: 342.00039

Names & identifiers

Preferred name: 3-[2-(4-Bromophenyl)-2-oxoethyl]quinazolin-4-one
IUPAC: 3-[2-(4-bromophenyl)-2-oxoethyl]quinazolin-4-one
English name: 3-[2-(4-bromophenyl)-2-oxoethyl]-4(3H)-quinazolinone
Molecular formula: C16H11BrN2O2
Molecular weight: 343.17474

Names & synonyms

60007-52-53-[2-(4-bromophenyl)-2-oxoethyl]-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-[2-(4-bromophenyl)-2-oxoethyl]-AK-918/422772353-(2-(4-Bromophenyl)-2-oxoethyl)quinazolin-4(3H)-one3-[2-(4-bromophenyl)-2-oxoethyl]quinazolin-4(3H)-one3-[2-(4-bromophenyl)-2-oxoethyl]-3,4-dihydroquinazolin-4-one3-[2-(4-bromophenyl)-2-oxoethyl]quinazolin-4-oneOprea1_082138MLS000661998CHEMBL1519024DTXSID90353335

Show more names

HMS2638N18HMS3365K17AKOS001643462SMR000293278ST45106428SR-01000459513SR-01000459513-13-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroquinazolin-4-one

Database identifiers

CAS: 60007-52-5
PubChem CID: 738367
DTXSID: DTXSID90353335
ChEMBL: CHEMBL1519024

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 444

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