chempirical

7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone

C13H16BrNO2CAS 129722-34-5298.18 g/mol

Open in Covalent MOL file
OHNOBr
Alkyl halideEther

Properties

Molecular formula
C13H16BrNO2
Molar mass
298.18 g/mol
Exact mass
297.0364 Da
Melting point
110.5–111 °C
logP
3.77Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
129722-34-5
SMILES
OC1=Nc2cc(OCCCCBr)ccc2CC1
InChIKey
URHLNHVYMNBPEO-UHFFFAOYSA-N
InChI
InChI=1S/C13H16BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2(1H)-Quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-
  • 7-(4-Bromobutoxy)-3,4-dihydro-2-quinolinone
  • Lanzapine
  • 3,4-Dihydro-7-(4-bromobutoxy)-2(1H)-quinolinone

Work with 7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone

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)-3,4-dihydro-2(1H)-quinolinone120004-79-775 % similar Aripiprazole129722-12-954 % similar 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone22246-18-049 % similar (4-Bromobutoxy)benzene1200-03-941 % similar Bufexamac2438-72-432 % similar 6-Chlorooxindole56341-37-832 % similar 3,4-Dihydro-5-hydroxy-2(1H)-quinolinone30389-33-431 % similar

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

Elsewhere

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