chempirical

Amonafide

C16H17N3O2CAS 69408-81-7283.33 g/mol

Open in Covalent MOL file
NNONH2O
AmideLactamPrimary amineTertiary amine

Properties

Molecular formula
C16H17N3O2
Molar mass
283.33 g/mol
Exact mass
283.1321 Da
Melting point
169–171 °C
logP
1.58Crippen estimate
Polar surface area
66.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
69408-81-7
SMILES
CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O
InChIKey
UPALIKSFLSVKIS-UHFFFAOYSA-N
InChI
InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3

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

Names and synonyms

8 names
  • 1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(dimethylamino)ethyl]-
  • 5-Amino-2-[2-(dimethylamino)ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
  • M-FA 142
  • FA 142
  • NSC 308847
  • Nafidimide
  • MADE-FA 142
  • NCI 308847

Work with Amonafide

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

Alrestatin51411-04-242 % similar 3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one10320-49-738 % similar N-Hydroxynaphthalimide7797-81-138 % similar N-Butylphthalimide1515-72-637 % similar 3-Dimethylamino-1-(naphthalen-1-yl)propan-1-one hydrochloride5409-58-536 % similar N-(2-Hydroxyethyl)phthalimide3891-07-435 % similar Naftalofos1491-41-434 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-734 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook