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

C₁₀H₁₁NO₂CAS 54197-64-7177.20 g/mol

Open in Covalent MOL file

Amide Ether Lactam

Properties

Molecular formula: C₁₀H₁₁NO₂
Molar mass: 177.20 g/mol
Exact mass: 177.0790 Da
logP: 1.58Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

54197-64-7

SMILES

COC1=CC2=C(C=C1)NC(=O)CC2

InChIKey

XHKXYVRULOMTOW-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO2/c1-13-8-3-4-9-7(6-8)2-5-10(12)11-9/h3-4,6H,2,5H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

6-Methoxy-1,2,3,4-tetrahydroquinolin-2-one

Work with 6-Methoxy-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

6-Methoxyoxindole7699-19-660 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-157 % similar 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone54197-66-957 % similar 5-Methoxy-2,3-dihydro-1H-indole21857-45-454 % similar 5-Methoxy-1-indanone5111-70-654 % similar 1,2,3,4-Tetrahydroquinolin-2-one553-03-753 % similar 6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-053 % similar 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one2472-22-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetoacetanilide102-01-2 (R)-4-Benzyl-2-oxazolidinone102029-44-7 (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-9 3,5-Dimethoxyphenylacetonitrile13388-75-5 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-3 5,6-Dimethoxyindole14430-23-0 (4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone16251-45-9 2,5-Dimethoxyphenylacetonitrile18086-24-3

Elsewhere

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