chempirical

3-Naphthoylindole

C19H13NOCAS 109555-87-5271.32 g/mol

Open in Covalent MOL file
ONH
Ketone

Properties

Molecular formula
C19H13NO
Molar mass
271.32 g/mol
Exact mass
271.0997 Da
logP
4.55Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
109555-87-5
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CNC4=CC=CC=C43
InChIKey
QIXQGVQLBPQVOR-UHFFFAOYSA-N
InChI
InChI=1S/C19H13NO/c21-19(17-12-20-18-11-4-3-9-15(17)18)16-10-5-7-13-6-1-2-8-14(13)16/h1-12,20H

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Names and synonyms

1 names
  • 3-(1-Naphthoyl)indole

Work with 3-Naphthoylindole

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

1-Benzoylnaphthalene642-29-556 % similar 3-Acetylindole703-80-053 % similar Indole-3-carboxylic acid771-50-653 % similar Indole-3-glyoxylic acid1477-49-249 % similar α-Oxo-1H-indole-3-acetyl chloride22980-09-249 % similar Bisindolylmaleimide V113963-68-147 % similar Benz[A]anthracene-7,12-dione2498-66-046 % similar Ethyl indole-3-carboxylate776-41-045 % similar

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

Same formula

2-(1-Naphthyl)-5-phenyloxazole846-63-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook