chempirical

Palosuran

C25H30N4O2CAS 540769-28-6418.54 g/mol

Open in Covalent MOL file
NOHNNOHHN
AlcoholTertiary amine

Properties

Molecular formula
C25H30N4O2
Molar mass
418.54 g/mol
Exact mass
418.2369 Da
logP
3.36Crippen estimate
Polar surface area
84.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
540769-28-6
SMILES
Cc1cc(=NC(O)=NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2[nH]1
InChIKey
WYJCYXOCHXWTHG-UHFFFAOYSA-N
InChI
InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)

Weigh it out

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

Names and synonyms

4 names
  • Urea, N-[2-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]ethyl]-N′-(2-methyl-4-quinolinyl)-
  • N-[2-[4-Hydroxy-4-(phenylmethyl)-1-piperidinyl]ethyl]-N′-(2-methyl-4-quinolinyl)urea
  • 1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(2-methylquinolin-4-yl)urea
  • ACT 058362

Work with Palosuran

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-Amino-2-methylquinoline6628-04-233 % similar Luzindole117946-91-532 % similar 4-(Phenylmethyl)-4-piperidinol51135-96-731 % similar 4-Hydroxy-2-methylquinoline607-67-031 % similar 8-(Phenylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione28936-94-930 % similar Fenspiride5053-06-530 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook