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

C₁₈H₂₅NO₃CAS 38428-14-7303.40 g/mol

Open in Covalent MOL file

Alkene Carbamate Ether

Properties

Molecular formula: C₁₈H₂₅NO₃
Molar mass: 303.40 g/mol
Exact mass: 303.1834 Da
logP: 4.31Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H341 Suspected of causing genetic defects50% of notifiers
H350 May cause cancer50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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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 phenylacetate102-13-637 % similar Isobutyl anthranilate7779-77-335 % similar Isobutyl salicylate87-19-435 % 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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