chempirical

4-Quinolinecarboxaldehyde

C10H7NOCAS 4363-93-3157.17 g/mol

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Aldehyde

Properties

Molecular formula
C10H7NO
Molar mass
157.17 g/mol
Exact mass
157.0528 Da
Melting point
51 °C
Boiling point
122–123 °C
logP
2.05Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
4363-93-3
SMILES
O=Cc1ccnc2ccccc12
InChIKey
MGCGJBXTNWUHQE-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H

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

Names and synonyms

5 names
  • Cinchoninaldehyde
  • 4-Formylquinoline
  • Quinoline-4-carbaldehyde
  • NSC 1213
  • 4-Quinolinyl aldehyde

Work with 4-Quinolinecarboxaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Naphthalenecarboxaldehyde66-77-348 % similar Lepidine491-35-047 % similar 4-Chloroquinoline611-35-847 % similar Phthalaldehyde643-79-844 % similar Benzo[B]thiophene-3-carboxaldehyde5381-20-444 % similar 4-Quinolinecarboxylic acid486-74-843 % similar 9,10-Anthracenedicarboxaldehyde7044-91-941 % similar 9-Phenanthrenecarboxaldehyde4707-71-541 % similar

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

Same formula

3-Quinolinecarboxaldehyde13669-42-6 2-Quinolinecarboxaldehyde5470-96-2 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile60899-34-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook