chempirical

3-Quinolinecarboxaldehyde

C10H7NOCAS 13669-42-6157.17 g/mol

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Aldehyde

Properties

Molecular formula
C10H7NO
Molar mass
157.17 g/mol
Exact mass
157.0528 Da
Melting point
120 °C
logP
2.05Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
13669-42-6
SMILES
O=Cc1cnc2ccccc2c1
InChIKey
RYGIHSLRMNXWCN-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7H

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

Names and synonyms

2 names
  • 3-Formylquinoline
  • Quinoline-3-carbaldehyde

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromoquinoline5332-24-148 % similar 3-Aminoquinoline580-17-648 % similar 3-Methylquinoline612-58-848 % similar 3-Quinolinecarbonitrile34846-64-546 % similar 3-Quinolinecarboxylic acid6480-68-845 % similar Pyridine-3-carbaldehyde500-22-142 % similar Benzaldehyde100-52-741 % similar 2-Methylquinoline-6-carboxaldehyde108166-03-641 % similar

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

Same formula

4-Quinolinecarboxaldehyde4363-93-3 2-Quinolinecarboxaldehyde5470-96-2 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile60899-34-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook