Quinoline-7-carbaldehyde

C10H7NOCAS 49573-30-0157.17 g/mol

Open in Covalent MOL file
ON
Aldehyde

Properties

Molecular formula
C10H7NO
Molar mass
157.17 g/mol
Exact mass
157.0528 Da
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 3 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
49573-30-0
SMILES
C1=CC2=C(C=C(C=C2)C=O)N=C1
InChIKey
WINWAFCAQPFBQA-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h1-7H

Weigh it out

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

Names and synonyms

1 names
  • 7-Quinolinecarboxaldehyde

Work with Quinoline-7-carbaldehyde

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

Quinoxaline-6-carbaldehyde130345-50-561 % similar 2-Naphthalenecarboxaldehyde66-99-955 % similar 7-Bromoquinoline4965-36-050 % similar 7-Aminoquinoline580-19-850 % similar 7-Hydroxyquinoline580-20-150 % similar 7-Methylquinoline612-60-250 % similar 7-Chloroquinoline612-61-350 % similar Quinoline91-22-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Quinolinecarboxaldehyde13669-42-6 Quinoline-5-carboxaldehyde22934-41-4 Isoquinoline-4-carbaldehyde22960-16-3 8-Quinolinecarboxaldehyde38707-70-9 6-Quinolinecarbaldehyde4113-04-6 4-Quinolinecarboxaldehyde4363-93-3 1-Benzofuran-3-ylacetonitrile52407-43-9 2-Quinolinecarboxaldehyde5470-96-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook