Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate

C₁₈H₁₅NO₄CAS 1421312-34-6309.32 g/mol

Open in Covalent MOL file

Ester Ether Phenol

Properties

Molecular formula: C₁₈H₁₅NO₄
Molar mass: 309.32 g/mol
Exact mass: 309.1001 Da
logP: 3.83Crippen estimate
Polar surface area: 68.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Identifiers

CAS number

1421312-34-6

SMILES

COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O

InChIKey

WJGPMRFWBJZJOQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H15NO4/c1-11-15-10-13(23-12-6-4-3-5-7-12)8-9-14(15)17(20)16(19-11)18(21)22-2/h3-10,20H,1-2H3

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Names and synonyms

1 names

3-Isoquinolinecarboxylic acid, 4-hydroxy-1-methyl-7-phenoxy-, methyl ester

Work with Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate

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

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

Same formula

Methyl (3E)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate1168150-46-6

Elsewhere

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