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

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)

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

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 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-350 % similar 6-Methoxy-1-tetralone1078-19-949 % similar 2,5-Dimethoxybenzhydrazide17894-25-649 % similar 6-Bromo-3,4-dihydro-2H-isoquinolin-1-one147497-32-348 % similar 5-Methoxy-1-indanone5111-70-648 % similar 5-Methoxy-2,3-dihydro-1H-indole21857-45-448 % 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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