CAS 112281-28-4 8-(Benzyloxy)-5-(oxiran-2-yl)quinolin-2(1H)-one (HCID 13897641)

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Basic information

CAS: 112281-28-4
Standard SMILES: O=c1ccc2c(C3CO3)ccc(OCc3ccccc3)c2[nH]1
InChIKey: IHJYYLJZVBVLEK-UHFFFAOYSA-N
Molecular formula: C18H15NO3
Average molar mass: 293.3 g/mol
Monoisotopic mass: 293.10519334

Names & identifiers

Preferred name: 8-(Benzyloxy)-5-(oxiran-2-yl)quinolin-2(1H)-one
IUPAC: 5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
English name: 5-(2-Oxiranyl)-8-(phenylMethoxy)-2(1H)-quinolinone
Molecular formula: C18H15NO3
Molecular weight: 293.32

Names & synonyms

112281-28-4DTXSID105519978-(Benzyloxy)-5-(oxiran-2-yl)quinolin-2(1H)-oneRefChem:311645DTXCID905027805-(2-Oxiranyl)-8-(phenylmethoxy)-2(1H)-quinolinone5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one5-(2R)-2-Oxiranyl-8-benzyloxy-2(1H)-quinolinone8-(benzyloxy)-5-oxiranyl-2(1H)-quinolinoneSCHEMBL6329198-(benzyloxy)-5-[(2S)-oxiran-2-yl]-1,2-dihydroquinolin-2-oneIHJYYLJZVBVLEK-UHFFFAOYSA-N

Show more names

8-benzyloxy-5-(epoxyethyl)-(1H)-quinolin-2-one2(1H)-Quinolinone, 5-(2-oxiranyl)-8-(phenylmethoxy)-

8-benzyloxy-5-oxiranyl carbostyrilSB441958-benzyloxy-5-oxiranyl-1H-quinolin-2-oneDB-085978DB-3183658-benzyloxy-5-(oxiran-2-yl)-1H-quinolin-2-one8-(Benzyloxy)-5-((R)-oxiran-2-yl)quinolin-2(1H)-one

Database identifiers

CAS: 112281-28-4
PubChem CID: 13897641
DTXSID: DTXSID10551997

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 444

Physicochemical properties

Melting point: 114 · 114-116 °C
Boiling point: 556 · 556.0±50.0 °C(Predicted)
Density: 1.298 · 1.298±0.06 g/cm3(Predicted)
solubility: Chloroform
pka: 10.92 · 10.92±0.70(Predicted)

Chemistry & industry

Applications

UsesUsed in the preparation of quinolones, benzoxazolones, and benzoxazinones as β agonists for the treatment of respiratory diseases

Uses5-(2-Oxiranyl)-8-(phenylMethoxy)-2(1H)-quinolinone is used in the preparation of quinolones, benzoxazolones, and benzoxazinones as β agonists for the treatment of respiratory diseases