5-((1R)-2-Bromo-1-hydroxyethyl)-8-phenylmethoxy-1H-quinolin-2-one

C₁₈H₁₆BrNO₃CAS 530084-79-8374.23 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether Phenol

Properties

Molecular formula: C₁₈H₁₆BrNO₃
Molar mass: 374.23 g/mol
Exact mass: 373.0314 Da
logP: 3.95Crippen estimate
Polar surface area: 62.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H341 Suspected of causing genetic defects33.3% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P318, P321, P333+P317, P362+P364, P405, P501

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

8 names

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

Similar compounds

5-(2R)-2-Oxiranyl-8-(phenylmethoxy)-2(1H)-quinolinone173140-90-467 % similar 5-Acetyl-8-(benzyloxy)-1,2-dihydroquinolin-2-one93609-84-853 % similar 5-(2-Chloroacetyl)-8-(phenylmethoxy)-2(1H)-quinolinone63404-86-453 % similar (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide201677-59-044 % similar Indacaterol312753-06-336 % similar 2-Benzyloxyphenol6272-38-435 % similar (R)-8-(Benzyloxy)-5-(2-((5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)quinolin-2(1H)-one435273-75-935 % similar 8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline100331-89-333 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook