4-Quinolinecarboxaldehyde
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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation15.2% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
4363-93-3SMILES
O=Cc1ccnc2ccccc12InChIKey
MGCGJBXTNWUHQE-UHFFFAOYSA-NInChI
InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7HWeigh it out
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
1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde728034-12-649 % similar
1-Naphthalenecarboxaldehyde66-77-348 % similar
4-Methoxyquinoline607-31-847 % similar
4-Bromoquinoline3964-04-347 % similar
Lepidine491-35-047 % similar
4-Chloroquinoline611-35-847 % similar
4-Hydroxy-1-naphthaldehyde7770-45-845 % similar
Phthalaldehyde643-79-844 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.