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CHEBI:124952 - [(3aR,4S,9bS)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone

Default Structure
ChEBI IDCHEBI:124952
ChEBI Name[(3aR,4S,9bS)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone
Stars
DownloadsMolfile
FormulaC29H27FN2O3
Net Charge0
Average Mass470.544
Monoisotopic Mass470.20057
SMILESCOc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3C)c1
InChIInChI=1S/C29H27FN2O3/c1-31-26-13-12-20(11-10-19-6-5-7-21(16-19)35-2)17-24(26)28-23(27(31)18-33)14-15-32(28)29(34)22-8-3-4-9-25(22)30/h3-9,12-13,16-17,23,27-28,33H,14-15,18H2,1-2H3/t23-,27+,28-/m0/s1
InChIKeyZIHNQNZFMFWGSA-LBNPDIFZSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4S,9bS)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone (CHEBI:124952) is a pyrroloquinoline (CHEBI:50918)
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