6-Amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-3-quinolinecarbonitrile

C₂₄H₂₀ClN₅O₂CAS 848139-78-6445.91 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile Primary amine

Properties

Molecular formula: C₂₄H₂₀ClN₅O₂
Molar mass: 445.91 g/mol
Exact mass: 445.1306 Da
logP: 4.88Crippen estimate
Polar surface area: 109.3 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 6

Identifiers

CAS number

848139-78-6

SMILES

CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N

InChIKey

WRGKROVGVSWJMI-UHFFFAOYSA-N

InChI

InChI=1S/C24H20ClN5O2/c1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-11,13H,2,14,27H2,1H3,(H,29,30)

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Names and synonyms

3 names

3-Quinolinecarbonitrile, 6-amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-
4-[4-[(2-Pyridyl)methoxy]-3-chloroanilino]-6-amino-3-cyano-7-ethoxyquinoline
6-Amino-4-[3-chloro-4-[(2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinoline

Work with 6-Amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-3-quinolinecarbonitrile

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

Neratinib698387-09-669 % similar Pelitinib257933-82-747 % similar Bosutinib380843-75-439 % similar Bosutinib monohydrate918639-08-438 % similar 1-Chloro-2-ethoxybenzene614-72-230 % similar

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

Elsewhere

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