chempirical

3-Quinolinecarbonitrile

C10H6N2CAS 34846-64-5154.17 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C10H6N2
Molar mass
154.17 g/mol
Exact mass
154.0531 Da
Melting point
108–110 °C
logP
2.11Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
34846-64-5
SMILES
N#Cc1cnc2ccccc2c1
InChIKey
QZZYYBQGTSGDPP-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H

Weigh it out

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

Names and synonyms

2 names
  • 3-Cyanoquinoline
  • NSC 44644

Work with 3-Quinolinecarbonitrile

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

3-Bromoquinoline5332-24-150 % similar 3-Aminoquinoline580-17-650 % similar 3-Methylquinoline612-58-850 % similar 2-Naphthalenecarbonitrile613-46-750 % similar 3-Quinolinecarboxaldehyde13669-42-646 % similar [2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-545 % similar 3-Quinolinecarboxylic acid6480-68-842 % similar Acridine260-94-641 % similar

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

Same formula

1-Isoquinolinecarbonitrile1198-30-7 2-Quinolinecarbonitrile1436-43-7 Benzylidenemalononitrile2700-22-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook