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

C₁₄H₁₇NO₃CAS 16357-59-8247.29 g/mol

Open in Covalent MOL file

Alkene Carbamate Ether

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed90.8% of notifiers
H315 Causes skin irritation98.9% of notifiers
H319 Causes serious eye irritation12.6% of notifiers
H335 May cause respiratory irritation11.5% of notifiers

Aggregated from 87 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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 methyl(phenyl)carbamate2621-79-641 % similar (3,3-Diethoxy-1-propen-1-yl)benzene7148-78-935 % similar Ethyl cinnamate103-36-635 % similar (±)-Benzoin ethyl ether574-09-435 % similar Phthalimidoacetaldehyde diethyl acetal78902-09-735 % 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 4-N-Cbz-cyclohexanone16801-63-1 (+)-cis-2-Benzamidocyclohexanecarboxylic acid26685-82-5 (-)-cis-2-Benzamidocyclohexanecarboxylic acid26693-55-0 N-Boc-5-methoxyindole99275-47-5

Elsewhere

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