chempirical

Vatalanib

C20H15ClN4CAS 212141-54-3346.82 g/mol

Open in Covalent MOL file
ClHNNNN
Aryl halideSecondary amine

Properties

Molecular formula
C20H15ClN4
Molar mass
346.82 g/mol
Exact mass
346.0985 Da
Melting point
209–212 °C
logP
5.01Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
212141-54-3
SMILES
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIKey
YCOYDOIWSSHVCK-UHFFFAOYSA-N
InChI
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)

Weigh it out

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

Names and synonyms

5 names
  • 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-
  • N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine
  • CGP 79787
  • Pynasunate
  • Vatalinib

Work with Vatalanib

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-Chloro-N-phenylaniline1205-71-638 % similar 4-Benzylpyridine2116-65-636 % similar 2-[(4-Chlorophenyl)methyl]pyridine4350-41-835 % similar Telatinib332012-40-533 % similar Azelastine58581-89-833 % similar N1-(4-Chlorophenyl)-1,2-benzenediamine68817-71-033 % similar 4-Chloropyridine626-61-933 % similar Azelastine hydrochloride79307-93-031 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook