chempirical

Febrifugine

C16H19N3O3CAS 24159-07-7301.35 g/mol

Open in Covalent MOL file
OHNOHNNO
AlcoholKetoneSecondary amine

Properties

Molecular formula
C16H19N3O3
Molar mass
301.35 g/mol
Exact mass
301.1426 Da
Melting point
145 °C
logP
0.47Crippen estimate
Polar surface area
84.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
24159-07-7
SMILES
O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2ccccc2c1=O
InChIKey
FWVHWDSCPKXMDB-CABCVRRESA-N
InChI
InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • 4(3H)-Quinazolinone, 3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-
  • 3-[3-[(2R,3S)-3-Hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone
  • β-Dichroine
  • Dichroin B
  • β-Dichroin
  • (+)-Febrifugine
  • NSC 315535
  • trans-(+)-Febrifugine

Work with Febrifugine

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

Halofuginone55837-20-269 % similar Halofuginone hydrobromide64924-67-066 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-231 % similar

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

Same formula

L-Tryptophyl-L-proline38136-75-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia