chempirical

7-(3,5-Dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-2H-imidazo[4,5-c]quinolin-2-one

C23H21N5O3CAS 1300031-49-5415.45 g/mol

Open in Covalent MOL file
ONONNHONN
EtherPhenol

Properties

Molecular formula
C23H21N5O3
Molar mass
415.45 g/mol
Exact mass
415.1644 Da
logP
4.57Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
1300031-49-5
SMILES
COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(O)n([C@H](C)c3ccccn3)c12
InChIKey
VUVUVNZRUGEAHB-CYBMUJFWSA-N
InChI
InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1

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Names and synonyms

6 names
  • 2H-Imidazo[4,5-c]quinolin-2-one, 7-(3,5-dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-
  • I-BET 151
  • GSK 1210151A
  • GSK1210151
  • 1-BET 151
  • I-Bet151

Work with 7-(3,5-Dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-2H-imidazo[4,5-c]quinolin-2-one

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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