2-(3-(4-(1H-Indazol-5-ylamino)-2-quinazolinyl)phenoxy)-N-(1-methylethyl)acetamide

C26H24N6O2CAS 911417-87-3452.52 g/mol

Open in Covalent MOL file
NHOONNNHHNN
AmideEtherSecondary amine

Properties

Molecular formula
C26H24N6O2
Molar mass
452.52 g/mol
Exact mass
452.1961 Da
logP
4.82Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
7

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
911417-87-3
SMILES
CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5
InChIKey
GKHIVNAUVKXIIY-UHFFFAOYSA-N
InChI
InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
Characterization data

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

[M + H]+
[M + H]+ Calcd for C26H25N6O2 453.2034
[M + Na]+
[M + Na]+ Calcd for C26H24N6NaO2 475.1853
[M − H]−
[M − H]− Calcd for C26H23N6O2 451.1888
Elemental analysis
Anal. Calcd for C26H24N6O2: C, 69.01; H, 5.35; N, 18.57.

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Names and synonyms

8 names
  • 2-[3-[4-(1H-Indazol-5-ylamino)-2-quinazolinyl]phenoxy]-N-(1-methylethyl)acetamide
  • Acetamide, 2-[3-[4-(1H-indazol-5-ylamino)-2-quinazolinyl]phenoxy]-N-(1-methylethyl)-
  • 2-[3-[4-[(1H-Indazol-5-yl)amino]quinazolin-2-yl]phenoxy]-N-isopropylacetamide
  • SLx 2119
  • KD 025
  • Belumosudil
  • 2-{3-[4-(1H-Indazol-5-ylamino)quinazolin-2-yl]phenoxy}-N-(propan-2-yl)acetamide
  • 2-[3-[4-(1H-Indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide

Work with 2-(3-(4-(1H-Indazol-5-ylamino)-2-quinazolinyl)phenoxy)-N-(1-methylethyl)acetamide

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

Elsewhere

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