7-(4-Bromobutoxy)-quinoline-2(1H)-one

C₁₃H₁₄BrNO₂CAS 203395-59-9296.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₃H₁₄BrNO₂
Molar mass: 296.16 g/mol
Exact mass: 295.0208 Da
logP: 3.08Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

203395-59-9

SMILES

C1=CC(=CC2=C1C=CC(=O)N2)OCCCCBr

InChIKey

MBOHAVAGDOGRBS-UHFFFAOYSA-N

InChI

InChI=1S/C13H14BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3-6,9H,1-2,7-8H2,(H,15,16)

Weigh it out

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Work with 7-(4-Bromobutoxy)-quinoline-2(1H)-one

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

7-(4-Chlorobutoxy)-1H-quinolin-2-one913613-82-873 % similar Dehydroaripiprazole129722-25-453 % similar (4-Bromobutoxy)benzene1200-03-945 % similar Quinolinol1321-40-041 % similar 7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone129722-34-540 % similar 6-Bromoquinolin-2(1H)-one1810-66-840 % similar (3-Bromopropoxy)benzene588-63-639 % similar 6-Hydroxy-2(1H)-quinolinone19315-93-636 % similar

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

Same formula

N-(5-Bromopentyl)phthalimide954-81-4

Elsewhere

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