7-(4-Chlorobutoxy)-1H-quinolin-2-one

C₁₃H₁₄ClNO₂CAS 913613-82-8251.71 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₃H₁₄ClNO₂
Molar mass: 251.71 g/mol
Exact mass: 251.0713 Da
logP: 2.93Crippen 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

913613-82-8

SMILES

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

InChIKey

DPQAKBJISUNJNK-UHFFFAOYSA-N

InChI

InChI=1S/C13H14ClNO2/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)

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Names and synonyms

1 names

2(1H)-Quinolinone,7-(4-chlorobutoxy)-

Work with 7-(4-Chlorobutoxy)-1H-quinolin-2-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-Bromobutoxy)-quinoline-2(1H)-one203395-59-973 % similar Dehydroaripiprazole129722-25-454 % similar 1-(3-Chloropropoxy)-4-fluorobenzene1716-42-342 % similar Quinolinol1321-40-040 % similar 7-(4-Chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone120004-79-740 % similar 6-Bromoquinolin-2(1H)-one1810-66-836 % similar 6-Hydroxy-2(1H)-quinolinone19315-93-636 % similar 2(1H)-Quinolinone,6-amino-(9ci)79207-68-436 % similar

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

Same formula

(2S)-2-Amino-3-(naphthalen-2-yl)propanoic acid hydrochloride122745-12-4

Elsewhere

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