chempirical

5-[(1R)-2-Bromo-1-hydroxyethyl]-8-(phenylmethoxy)-2(1H)-quinolinone

C18H16BrNO3CAS 530084-79-8374.23 g/mol

Open in Covalent MOL file
OHOHBrON
AlcoholAlkyl halideEtherPhenol

Properties

Molecular formula
C18H16BrNO3
Molar mass
374.23 g/mol
Exact mass
373.0314 Da
logP
3.95Crippen estimate
Polar surface area
62.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
530084-79-8
SMILES
Oc1ccc2c([C@@H](O)CBr)ccc(OCc3ccccc3)c2n1
InChIKey
GNFMSZCSSUZAGV-HNNXBMFYSA-N
InChI
InChI=1S/C18H16BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,20,22)/t15-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 2(1H)-Quinolinone, 5-[(1R)-2-bromo-1-hydroxyethyl]-8-(phenylmethoxy)-
  • 8-(Benzyloxy)-5-((1R)-2-bromo-1-hydroxyethyl)quinolin-2(1H)-one
  • 8-Benzyloxy-5-((R)-2-bromo-1-hydroxyethyl)-1H-quinolin-2-one
  • 5-(2-Bromo-(R)-1-hydroxyethyl)-8-benzyloxy-2(1H)-quinolinone
  • (R)-8-Benzyloxy-5-(2-bromo-1-hydroxyethyl)carbostyril
  • (R)-8-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)quinolin-2(1H)-one
  • 2(1H)-Quinolinone 5-[(1R)-2-bromo-1-hydroxyethyl]-8-(phenylmethoxy)-

Work with 5-[(1R)-2-Bromo-1-hydroxyethyl]-8-(phenylmethoxy)-2(1H)-quinolinone

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

5-(2R)-2-Oxiranyl-8-(phenylmethoxy)-2(1H)-quinolinone173140-90-467 % similar 5-Acetyl-8-(phenylmethoxy)-2(1H)-quinolinone93609-84-853 % similar 5-(2-Chloroacetyl)-8-(phenylmethoxy)-2(1H)-quinolinone63404-86-453 % similar Indacaterol312753-06-336 % similar 2-(Phenylmethoxy)phenol6272-38-435 % similar 8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline100331-89-333 % similar 4-Chromanol1481-93-232 % similar α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-832 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook