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

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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

2-Naphthalenecarboxaldehyde66-99-952 % similar 3-Bromoquinoline5332-24-148 % similar 3-Aminoquinoline580-17-648 % similar 3-Hydroxyquinoline580-18-748 % similar 3-Methylquinoline612-58-848 % similar 3-Chloroquinoline612-59-948 % similar Quinoxaline-2-carbaldehyde1593-08-447 % similar 2,3-Naphthalenedicarboxaldehyde7149-49-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Quinoline-5-carboxaldehyde22934-41-4 Isoquinoline-4-carbaldehyde22960-16-3 8-Quinolinecarboxaldehyde38707-70-9 6-Quinolinecarbaldehyde4113-04-6 4-Quinolinecarboxaldehyde4363-93-3 Quinoline-7-carbaldehyde49573-30-0 1-Benzofuran-3-ylacetonitrile52407-43-9 2-Quinolinecarboxaldehyde5470-96-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook