8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline

C₁₈H₁₄BrNO₃CAS 100331-89-3372.22 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₈H₁₄BrNO₃
Molar mass: 372.22 g/mol
Exact mass: 371.0157 Da
logP: 3.68Crippen estimate
Polar surface area: 59.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

100331-89-3

SMILES

C1=CC=C(C=C1)COC2=C3C(=C(C=C2)C(=O)CBr)C=CC(=O)N3

InChIKey

RVHSDLUBNZBRMH-UHFFFAOYSA-N

InChI

InChI=1S/C18H14BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,22)

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Work with 8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(2-Chloroacetyl)-8-(phenylmethoxy)-2(1H)-quinolinone63404-86-444 % similar 2-Bromo-1-[3-nitro-4-(phenylmethoxy)phenyl]ethanone43229-01-243 % similar 5-Acetyl-8-(phenylmethoxy)-2(1H)-quinolinone93609-84-840 % similar 2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-038 % similar Benzyl bromoacetate5437-45-637 % similar 2-(Benzyloxy)benzoic acid14389-86-737 % similar 2-(Benzyloxy)phenylacetic acid22047-88-736 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide1237-75-8

Elsewhere

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