6-Bromo-3,4-dihydro-1H-quinolin-2-one

C₉H₈BrNOCAS 3279-90-1226.07 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₉H₈BrNO
Molar mass: 226.07 g/mol
Exact mass: 224.9789 Da
logP: 2.33Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed57.1% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H315 Causes skin irritation71.4% of notifiers
H319 Causes serious eye irritation71.4% of notifiers
H332 Harmful if inhaled42.9% of notifiers
H335 May cause respiratory irritation57.1% of notifiers
H412 Harmful to aquatic life with long lasting effects14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3279-90-1

SMILES

C1CC(=O)NC2=C1C=C(C=C2)Br

InChIKey

MQWZSSIUHXNNTM-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

6-Bromo-3,4-dihydroquinolin-2(1H)-one

Work with 6-Bromo-3,4-dihydro-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-Bromo-2-oxindole20870-78-471 % similar 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone54197-66-967 % similar 6-Methoxy-3,4-dihydro-1H-quinolin-2-one54197-64-757 % similar 1,2,3,4-Tetrahydroquinolin-2-one553-03-757 % similar 6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-957 % similar 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one1017783-09-353 % similar 5-Bromoindoline22190-33-650 % similar 6-Bromo-2H-1,4-benzoxazin-3(4H)-one24036-52-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-3,4-dihydro-2H-isoquinolin-1-one147497-32-3 6-Bromo-4-methoxy-1H-indole393553-57-6 3-Bromo-4-methoxyphenylacetonitrile772-59-8 7-Bromo-3,4-dihydroisoquinolin-1(2H)-one891782-60-8

Elsewhere

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