chempirical

N-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline

C14H17NO3CAS 16357-59-8247.29 g/mol

Open in Covalent MOL file
OONO
AlkeneCarbamateEther

Properties

Molecular formula
C14H17NO3
Molar mass
247.29 g/mol
Exact mass
247.1208 Da
Melting point
56.5 °C
Boiling point
125–128 °C (at 0.1 Torr)
logP
3.04Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
16357-59-8
SMILES
CCOC(=O)N1c2ccccc2C=CC1OCC
InChIKey
GKQLYSROISKDLL-UHFFFAOYSA-N
InChI
InChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • 1(2H)-Quinolinecarboxylic acid, 2-ethoxy-, ethyl ester
  • N-(Ethoxycarbonyl)-2-ethoxy-1,2-dihydroquinoline
  • EEDQ
  • 1-(Ethoxycarbonyl)-2-ethoxy-1,2-dihydroquinoline
  • 2-Ethoxy-N-(ethoxycarbonyl)-1,2-dihydroquinoline
  • 2-Ethoxy-1-(ethoxycarbonyl)-1,2-dihydroquinoline
  • N-Carbethoxy-2-ethoxy-1,2-dihydroquinoline
  • 2-Ethoxy-1(2H)-quinolinecarboxylic acid ethyl ester
  • Ethyl 2-ethoxy-1(2H)-quinolinecarboxylate
  • NSC 147831

Work with N-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline

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

2-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylate38428-14-767 % similar Ethyl N,N-diphenylcarbamate603-52-143 % similar N-Carbethoxyphthalimide22509-74-641 % similar Ethyl N-methyl-N-phenylcarbamate2621-79-641 % similar (3,3-Diethoxy-1-propen-1-yl)benzene7148-78-935 % similar Ethyl cinnamate103-36-635 % similar (±)-Benzoin ethyl ether574-09-435 % similar Diethyl phthalate84-66-234 % similar

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

Same formula

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-6 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia