Ricolinostat

C24H27N5O3CAS 1316214-52-4433.51 g/mol

Open in Covalent MOL file
NNNONHONHHO
AmideTertiary amine

Properties

Molecular formula
C24H27N5O3
Molar mass
433.51 g/mol
Exact mass
433.2114 Da
logP
4.13Crippen estimate
Polar surface area
107.5 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1316214-52-4
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO
InChIKey
QGZYDVAGYRLSKP-UHFFFAOYSA-N
InChI
InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 9.34 (s, 2H), 8.50 (br s, 1H), 7.31 (t, J = 7.7 Hz, 4H), 7.06 (dd, J = 7.7, 1.6 Hz, 4H), 7.01 (tt, J = 7.7, 1.6 Hz, 2H), 5.90 (br t, J = 5.0 Hz, 1H), 5.90 (br s, 1H), 3.28 (td, J = 7.0, 5.0 Hz, 2H), 2.22 (t, J = 7.0 Hz, 2H), 1.55 (quint, J = 7.0 Hz, 2H), 1.52 (quint, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 176.4, 174.4, 166.8, 156.5, 143.0, 129.2, 120.9, 119.4, 117.7, 42.3, 36.0, 34.4, 29.0, 26.7, 25.7.
[M + H]+
[M + H]+ Calcd for C24H28N5O3 434.2187
[M + Na]+
[M + Na]+ Calcd for C24H27N5NaO3 456.2006
[M − H]−
[M − H]− Calcd for C24H26N5O3 432.2041
Elemental analysis
Anal. Calcd for C24H27N5O3: C, 66.50; H, 6.28; N, 16.16.

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Names and synonyms

1 name
  • Acy-1215

Work with Ricolinostat

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

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Elsewhere

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