chempirical

Rutecarpine

C18H13N3OCAS 84-26-4287.32 g/mol

Open in Covalent MOL file
ONNNH

Properties

Molecular formula
C18H13N3O
Molar mass
287.32 g/mol
Exact mass
287.1059 Da
Melting point
260 °C
logP
3.10Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
84-26-4
SMILES
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12
InChIKey
ACVGWSKVRYFWRP-UHFFFAOYSA-N
InChI
InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2

Weigh it out

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

Names and synonyms

6 names
  • Indolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-
  • 8,13-Dihydroindolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one
  • Rutaecarpine
  • Rhetine
  • NSC 258317
  • 3,13,21-Triazapentacyclo[11.8.0.0[2,10].0[4,9].0[15,20]]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-14-one

Work with Rutecarpine

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

1,2,3,4-Tetrahydrocarbazole942-01-836 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-232 % similar Quinacridone1047-16-131 % similar 2-Methyltryptamine2731-06-831 % similar Ketanserin74050-98-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia