Tivozanib

C22H19ClN4O5CAS 475108-18-0454.87 g/mol

Open in Covalent MOL file
ONOHNONONHClO
Aryl halideEther

Properties

Molecular formula
C22H19ClN4O5
Molar mass
454.87 g/mol
Exact mass
454.1044 Da
logP
5.07Crippen estimate
Polar surface area
114.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
475108-18-0
SMILES
COc1cc2nccc(Oc3ccc(N=C(O)N=c4cc(C)o[nH]4)c(Cl)c3)c2cc1OC
InChIKey
SPMVMDHWKHCIDT-UHFFFAOYSA-N
InChI
InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)

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Names and synonyms

8 names
  • Urea, N-[2-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N′-(5-methyl-3-isoxazolyl)-
  • N-[2-Chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N′-(5-methyl-3-isoxazolyl)urea
  • N-[2-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]-N′-(5-methyl-3-isoxazolyl)urea
  • KRN 951
  • AV 951
  • Kil 8951
  • 1-[2-Chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
  • Fotivda

Work with Tivozanib

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

1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea501925-31-156 % similar 4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide417722-93-143 % similar Lenvatinib417716-92-843 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-743 % similar 4-Chloro-6,7-dimethoxyquinoline35654-56-940 % similar Lenvatinib mesylate857890-39-239 % similar Ki8751228559-41-937 % similar 4-Chloro-6-methoxyquinolin-7-ol205448-31-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook