9-Chloro-2-ethyl-3,6-dihydro-1-methyl-3-(2,2,2-trifluoroethyl)-7H-pyrrolo[3,2-F]quinolin-7-one

C₁₆H₁₄ClF₃N₂OCAS 917891-35-1342.75 g/mol

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Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₁₆H₁₄ClF₃N₂O
Molar mass: 342.75 g/mol
Exact mass: 342.0747 Da
logP: 4.98Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

917891-35-1

SMILES

CCc1c(C)c2c3c(Cl)cc(O)nc3ccc2n1CC(F)(F)F

InChIKey

OMXGOGXEWUCLFI-UHFFFAOYSA-N

InChI

InChI=1S/C16H14ClF3N2O/c1-3-11-8(2)14-12(22(11)7-16(18,19)20)5-4-10-15(14)9(17)6-13(23)21-10/h4-6H,3,7H2,1-2H3,(H,21,23)

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Names and synonyms

2 names

7H-Pyrrolo[3,2-f]quinolin-7-one, 9-chloro-2-ethyl-3,6-dihydro-1-methyl-3-(2,2,2-trifluoroethyl)-
LGD 3303

Work with 9-Chloro-2-ethyl-3,6-dihydro-1-methyl-3-(2,2,2-trifluoroethyl)-7H-pyrrolo[3,2-F]quinolin-7-one

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

5,6-Dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one60563-36-233 % similar 5,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole3237-62-532 % similar

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

Same formula

9-Chloro-2-ethyl-3,6-dihydro-1-methyl-3-(2,2,2-trifluoroethyl)-7H-pyrrolo[3,2-F]quinolin-7-one1196133-39-7

Elsewhere

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