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Quinamine

CAT: 0013-GTR19180709Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180709Size:1 mg
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Description
Quinamine
CAS Number
464-85-7
Smiles
O[C@@]12CCOC1 (Nc1ccccc21) [C@@H]1C[C@@H]2CCN1C[C@@H]2C=C |THB:5:13:16.17:19.20,21:20:13.14:16.17|
Molecular Formula
C19H24N2O2
Molecular Weight
312.413
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quinamine

quinamine has been reported in Cinchona calisaya, Ciliosemina pedunculata, and Cinchona pubescens with data available.

CAS Number464-85-7
PubChem CID94145
IUPAC Name(3aS,8bR)-3a-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol
Molecular FormulaC19H24N2O2
Molecular Weight312.4
XLogP2.1
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity512
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@]34[C@@](CCO3)(C5=CC=CC=C5N4)O
InChI
InChI=1S/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2/t13-,14-,17-,18+,19-/m0/s1
InChIKey
ALNKTVLUDWIWIH-HLQCWHFUSA-N
Chemical Structure
2D Structure
2D structure of Quinamine
CAS: 464-85-7
CID: 94145
Formula: C19H24N2O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass312.183778013
Monoisotopic Mass312.183778013
Topological Polar Surface Area44.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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