2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one

C₁₈H₁₉NO₂CAS 41175-45-5281.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₉NO₂
Molar mass: 281.35 g/mol
Exact mass: 281.1416 Da
logP: 2.98Crippen estimate
Polar surface area: 33.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

41175-45-5

SMILES

O=c1oc2c3c4c(cc2c2c1CCC2)CCCN4CCC3

InChIKey

LLSRPENMALNOFW-UHFFFAOYSA-N

InChI

InChI=1S/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2

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Names and synonyms

4 names

1H,5H-Cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one, 2,3,6,7,10,11-hexahydro-
Coumarin 106
Coumarin 478
NSC 290434

Work with 2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-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

Coumarin 15353518-18-660 % similar Coumarin 34355804-65-455 % similar Coumarin 33455804-67-655 % similar 8-Hydroxyjulolidine-9-carboxaldehyde63149-33-741 % similar 8-Hydroxyjulolidine41175-50-239 % similar

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

Elsewhere

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