chempirical

2-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylate

C18H25NO3CAS 38428-14-7303.40 g/mol

Open in Covalent MOL file
OONO
AlkeneCarbamateEther

Properties

Molecular formula
C18H25NO3
Molar mass
303.40 g/mol
Exact mass
303.1834 Da
logP
4.31Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
38428-14-7
SMILES
CC(C)COC(=O)N1c2ccccc2C=CC1OCC(C)C
InChIKey
LPBHYOYZZIFCQT-UHFFFAOYSA-N
InChI
InChI=1S/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3

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

Names and synonyms

6 names
  • 1(2H)-Quinolinecarboxylic acid, 2-(2-methylpropoxy)-, 2-methylpropyl ester
  • 2-Isobutoxy-1-(isobutoxycarbonyl)-1,2-dihydroquinoline
  • IIDQ
  • NSC 332545
  • 2-Isopropoxy-1-isopropoxycarbonyl-1,2-dihydroquinoline
  • 2-Methylpropyl 2-(2-methylpropoxy)-1,2-dihydroquinoline-1-carboxylate

Work with 2-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylate

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

N-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline16357-59-867 % similar Isobutyl cinnamate122-67-840 % similar Diisobutyl phthalate84-69-539 % similar Isobutyl benzoate120-50-338 % similar Benzoin isobutyl ether22499-12-337 % similar Isobutyl anthranilate7779-77-335 % similar Isobutyl salicylate87-19-435 % similar Fluorescent yellow 8G2744-50-532 % similar

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

Same formula

1-Methyl-3-pyrrolidinyl α-cyclopentyl-α-hydroxybenzeneacetate13118-11-1

Elsewhere

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