chempirical

3-Benzyl-6-bromo-2-chloroquinoline

C16H11BrClNCAS 654655-68-2332.62 g/mol

Open in Covalent MOL file
NBrCl
Aryl halide

Properties

Molecular formula
C16H11BrClN
Molar mass
332.62 g/mol
Exact mass
330.9763 Da
logP
5.24Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
654655-68-2
SMILES
C1=CC=C(C=C1)CC2=C(N=C3C=CC(=CC3=C2)Br)Cl
InChIKey
UGXUDVNBDYIJHJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H11BrClN/c17-14-6-7-15-12(10-14)9-13(16(18)19-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2

Weigh it out

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Work with 3-Benzyl-6-bromo-2-chloroquinoline

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

3-Benzyl-6-bromo-2-methoxyquinoline654655-69-362 % similar 2-Chloro-3-(chloromethyl)quinoline90097-52-247 % similar 6-Bromo-2-chloroquinoline1810-71-545 % similar 6-Bromo-2-chloroquinazoline882672-05-144 % similar 1-Benzyl-4-bromobenzene2116-36-142 % similar 6-Bromo-2,4-dichloroquinazoline102393-82-841 % similar 6-Bromo-2-methylquinoline877-42-939 % similar 6-Bromo-1-chloro-isoquinoline205055-63-638 % similar

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

Elsewhere

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