Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate

C₁₇H₁₃NO₄CAS 1455091-10-7295.29 g/mol

Open in Covalent MOL file

Ester Ether Phenol

Properties

Molecular formula: C₁₇H₁₃NO₄
Molar mass: 295.29 g/mol
Exact mass: 295.0845 Da
logP: 3.52Crippen estimate
Polar surface area: 68.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Identifiers

CAS number

1455091-10-7

SMILES

COC(=O)C1=NC=C2C=C(C=CC2=C1O)OC3=CC=CC=C3

InChIKey

YTWDBRIDKWWANA-UHFFFAOYSA-N

InChI

InChI=1S/C17H13NO4/c1-21-17(20)15-16(19)14-8-7-13(9-11(14)10-18-15)22-12-5-3-2-4-6-12/h2-10,19H,1H3

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Names and synonyms

1 names

Fg-4592 intermediate

Work with Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate

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

Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate1421312-34-665 % similar Methyl 3-isoquinolinecarboxylate27104-73-042 % similar Fg 4592808118-40-341 % similar Phenyl 1-hydroxy-2-naphthoate132-54-738 % similar 2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-437 % similar Methyl 3-hydroxy-2-naphthoate883-99-837 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-936 % similar 5-Phenoxy-1(3H)-isobenzofuranone57830-14-536 % similar

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

Same formula

N-Phthaloyl-(S)-phenylalanine5123-55-7

Elsewhere

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