chempirical

Pyronaridine

C29H32ClN5O2CAS 74847-35-1518.06 g/mol

Open in Covalent MOL file
ONHClNNHONN
Aryl halideEtherPhenolTertiary amine

Properties

Molecular formula
C29H32ClN5O2
Molar mass
518.06 g/mol
Exact mass
517.2245 Da
logP
5.51Crippen estimate
Polar surface area
77.0 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6

Identifiers

CAS number
74847-35-1
SMILES
COc1ccc2[nH]c3cc(Cl)ccc3c(=Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
InChIKey
DJUFPMUQJKWIJB-UHFFFAOYSA-N
InChI
InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)

Weigh it out

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

Names and synonyms

4 names
  • Phenol, 4-[(7-chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)amino]-2,6-bis(1-pyrrolidinylmethyl)-
  • Benzo[b]-1,5-naphthyridine, phenol deriv.
  • 4-[(7-Chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)amino]-2,6-bis(1-pyrrolidinylmethyl)phenol
  • Malaridine

Work with Pyronaridine

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

Quinacrine dihydrochloride69-05-639 % similar Quinacrine dihydrochloride dihydrate6151-30-038 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook