7-Bromo-5,8-dichloro-2-[[4,6-dimethyl-2-(phenylmethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1(2H)-isoquinolinone

C₂₄H₂₁BrCl₂N₂O₂CAS 1616289-36-1520.25 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether Lactam

Properties

Molecular formula: C₂₄H₂₁BrCl₂N₂O₂
Molar mass: 520.25 g/mol
Exact mass: 518.0163 Da
logP: 6.55Crippen estimate
Polar surface area: 42.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

1616289-36-1

SMILES

Cc1cc(C)c(CN2CCc3c(Cl)cc(Br)c(Cl)c3C2=O)c(OCc2ccccc2)n1

InChIKey

LSKDVGRNNJFMDH-UHFFFAOYSA-N

InChI

InChI=1S/C24H21BrCl2N2O2/c1-14-10-15(2)28-23(31-13-16-6-4-3-5-7-16)18(14)12-29-9-8-17-20(26)11-19(25)22(27)21(17)24(29)30/h3-7,10-11H,8-9,12-13H2,1-2H3

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Names and synonyms

1 names

1(2H)-Isoquinolinone, 7-bromo-5,8-dichloro-2-[[4,6-dimethyl-2-(phenylmethoxy)-3-pyridinyl]methyl]-3,4-dihydro-

Work with 7-Bromo-5,8-dichloro-2-[[4,6-dimethyl-2-(phenylmethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1(2H)-isoquinolinone

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

4-Benzyloxy-1-bromo-2-methylbenzene17671-75-932 % similar 4-Benzyloxy-3,5-dimethylbenzoic acid97888-80-731 % similar S-(4,6-Dimethyl-2-pyrimidinyl) O-(phenylmethyl) carbonothioate42116-21-230 % similar

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

Elsewhere

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