chempirical

Vesnarinone

C22H25N3O4CAS 81840-15-5395.46 g/mol

Open in Covalent MOL file
OONNONHO
AmideEtherLactamTertiary amine

Properties

Molecular formula
C22H25N3O4
Molar mass
395.46 g/mol
Exact mass
395.1845 Da
Melting point
238.1–239.5 °C
logP
2.55Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
81840-15-5
SMILES
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC
InChIKey
ZVNYJIZDIRKMBF-UHFFFAOYSA-N
InChI
InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)

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

Names and synonyms

6 names
  • 2(1H)-Quinolinone, 6-[4-(3,4-dimethoxybenzoyl)-1-piperazinyl]-3,4-dihydro-
  • Piperazine, 1-(3,4-dimethoxybenzoyl)-4-(1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)-
  • 6-[4-(3,4-Dimethoxybenzoyl)-1-piperazinyl]-3,4-dihydro-2(1H)-quinolinone
  • OPC 8212
  • Arkin
  • Pieranometazine

Work with Vesnarinone

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-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-841 % similar 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone54197-66-940 % similar 4-(4-Acetyl-1-piperazinyl)-2-(methyloxy)aniline1021426-42-539 % similar 3,4-Dimethoxybenzoyl chloride3535-37-337 % similar Propioveratrone1835-04-736 % similar Ky02111118807-13-836 % similar 3,4-Dimethoxyacetophenone1131-62-035 % similar Dimethomorph110488-70-535 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook