Ethyl 7-chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate

C₁₆H₁₆ClNO₃CAS 103877-51-6305.76 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₆H₁₆ClNO₃
Molar mass: 305.76 g/mol
Exact mass: 305.0819 Da
logP: 3.47Crippen estimate
Polar surface area: 48.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

103877-51-6

SMILES

CCOC(=O)c1cn(C2CC2)c2c(C)c(Cl)ccc2c1=O

InChIKey

MUQYAFBHOLSOCY-UHFFFAOYSA-N

InChI

InChI=1S/C16H16ClNO3/c1-3-21-16(20)12-8-18(10-4-5-10)14-9(2)13(17)7-6-11(14)15(12)19/h6-8,10H,3-5H2,1-2H3

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Names and synonyms

2 names

3-Quinolinecarboxylic acid, 7-chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-, ethyl ester
7-Chloro-1-cyclopropyl-8-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid ethyl ester

Work with Ethyl 7-chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-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

Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-1,4-dihydro-4-oxoquinoline-3-carboxylate194805-07-759 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester112811-71-953 % similar Ethyl 7-[6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate446299-90-753 % similar Ethyl 2,5-dichlorobenzoate35112-27-743 % similar Ethyl o-chlorobenzoate7335-25-343 % similar Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate106939-34-842 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-641 % similar Ethyl 2,4-dichlorobenzoate56882-52-140 % similar

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

Same formula

Fenoldopam67227-56-9

Elsewhere

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