Dovitinib

C₂₁H₂₁FN₆OCAS 405169-16-6392.44 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine Tertiary amine

Properties

Molecular formula: C₂₁H₂₁FN₆O
Molar mass: 392.44 g/mol
Exact mass: 392.1761 Da
logP: 2.96Crippen estimate
Polar surface area: 94.3 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2

Identifiers

CAS number

405169-16-6

SMILES

CN1CCN(c2ccc3nc(-c4c(O)nc5cccc(F)c5c4N)[nH]c3c2)CC1

InChIKey

PIQCTGMSNWUMAF-UHFFFAOYSA-N

InChI

InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)

Weigh it out

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

Names and synonyms

7 names

2(1H)-Quinolinone, 4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-
2(1H)-Quinolinone, 4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-
4-Amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-2(1H)-quinolinone
4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
TK-258
GFKI 258
TKI 258

Work with Dovitinib

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

Hoechst 3325823491-45-444 % similar Bisbenzimide23491-52-340 % similar 3-(4-Methyl-1-piperazinyl)benzenemethanamine672325-37-032 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook