7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one

C₁₀H₁₁NO₂CAS 22246-04-4177.20 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: 0.98Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

22246-04-4

SMILES

COC1=CC2=C(CCNC2=O)C=C1

InChIKey

QBEYUVIGABSXEU-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-3,6H,4-5H2,1H3,(H,11,12)

Weigh it out

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Names and synonyms

1 names

7-Methoxy-3,4-dihydroisoquinolin-1(2H)-one

Work with 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-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

7-Methoxy-1-tetralone6836-19-760 % similar 6-Methoxy-1-indanone13623-25-159 % similar 7-Bromo-3,4-dihydroisoquinolin-1(2H)-one891782-60-859 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-350 % similar Melatonin8041-44-950 % similar 6-Methoxy-1-tetralone1078-19-949 % similar 2,5-Dimethoxybenzhydrazide17894-25-649 % similar 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one6500-65-848 % 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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