Dimethyl Quinoline-2,3-dicarboxylate

C₁₃H₁₁NO₄CAS 17507-03-8245.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₁NO₄
Molar mass: 245.23 g/mol
Exact mass: 245.0688 Da
logP: 1.81Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Identifiers

CAS number

17507-03-8

SMILES

COC(=O)C1=CC2=CC=CC=C2N=C1C(=O)OC

InChIKey

LJLAVRGABNTTSN-UHFFFAOYSA-N

InChI

InChI=1S/C13H11NO4/c1-17-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13(16)18-2/h3-7H,1-2H3

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Names and synonyms

1 names

Dimethyl 2,3-quinolinedicarboxylate

Work with Dimethyl Quinoline-2,3-dicarboxylate

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

Diethyl 2,3-quinolinedicarboxylate32413-08-464 % similar Dimethyl 2,3-naphthalenedicarboxylate13728-34-263 % similar Methyl 3-hydroxy-2-naphthoate883-99-854 % similar Dimethyl phthalate131-11-351 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-250 % similar 2,3-Quinolinedicarboxylic acid643-38-950 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-949 % similar Methyl 2-chlorobenzoate610-96-848 % similar

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

Same formula

Knk-437218924-25-5

Elsewhere

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