Diethyl 2,3-quinolinedicarboxylate

C₁₅H₁₅NO₄CAS 32413-08-4273.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₅NO₄
Molar mass: 273.29 g/mol
Exact mass: 273.1001 Da
logP: 2.59Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

32413-08-4

SMILES

CCOC(=O)C1=CC2=CC=CC=C2N=C1C(=O)OCC

InChIKey

ICMBEQVDQPLOFB-UHFFFAOYSA-N

InChI

InChI=1S/C15H15NO4/c1-3-19-14(17)11-9-10-7-5-6-8-12(10)16-13(11)15(18)20-4-2/h5-9H,3-4H2,1-2H3

Weigh it out

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

Work with Diethyl 2,3-quinolinedicarboxylate

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

Dimethyl Quinoline-2,3-dicarboxylate17507-03-864 % similar Diethyl phthalate84-66-255 % similar Ethyl 1-naphthalenecarboxylate3007-97-453 % similar 3-Carbethoxycoumarin1846-76-052 % similar Ethyl o-chlorobenzoate7335-25-351 % similar Ethyl 2-naphthoate3007-91-850 % similar Ethyl2-methylquinoline-6-carboxylate855763-77-849 % similar 5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-149 % similar

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

Same formula

DL-Thyronine1034-10-2 Thyronine1596-67-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook