4(3H)-Quinazolinone, 3-(o-hydroxybenzoyl)-, acetate, hemiacetate

HCID 64080

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Basic information

CAS: 16347-79-8
Standard SMILES: CC(=O)O.CC(=O)Oc1ccccc1C(=O)n1cnc2ccccc2c1=O.CC(=O)Oc1ccccc1C(=O)n1cnc2ccccc2c1=O
InChIKey: VBLLMOSHELODIE-UHFFFAOYSA-N
Molecular formula: C36H28N4O10
Average molar mass: 676.6 g/mol
Monoisotopic mass: 676.1805431

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 3-(o-hydroxybenzoyl)-, acetate, hemiacetate
IUPAC: acetic acid;bis([2-(4-oxoquinazoline-3-carbonyl)phenyl] acetate)

Names & synonyms

4(3H)-Quinazolinone, 3-(o-hydroxybenzoyl)-, acetate, hemiacetate16347-79-83-(o-Hydroxybenzoyl)-4(3H)-quinazolinone acetate hemiacetateDTXSID90167595RefChem:284148DTXCID1090086Acetic acid--2-(4-oxoquinazoline-3(4H)-carbonyl)phenyl acetate (1/2)

Database identifiers

CAS: 16347-79-8
PubChem CID: 64080
DTXSID: DTXSID90167595

Properties

Computed structural properties

Topological polar surface area: 189 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 12
Rotatable bonds: 6
Heavy atoms: 50
Formal charge: 0
Complexity: 562

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