[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate

C23H26N2O2 — CID 11552283

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESO=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1
InChIInChI=1S/C23H26N2O2/c26-23(27-22-16-24-14-12-18(22)13-15-24)21-11-10-17-6-4-5-9-20(17)25(21)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21?,22-/m0/s1
InChIKeyRNBJISATPAUHAD-KEKNWZKVSA-N
MW362.47 g/mol
LogP3.78
Rot. Bonds3

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate (PubChem CID 11552283) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
PubChem CID11552283
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESO=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1
InChIInChI=1S/C23H26N2O2/c26-23(27-22-16-24-14-12-18(22)13-15-24)21-11-10-17-6-4-5-9-20(17)25(21)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21?,22-/m0/s1
InChIKeyRNBJISATPAUHAD-KEKNWZKVSA-N
XLogP3.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate (CID 11552283) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate is O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The InChIKey is RNBJISATPAUHAD-KEKNWZKVSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-23(27-22-16-24-14-12-18(22)13-15-24)21-11-10-17-6-4-5-9-20(17)25(21)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21?,22-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate is sourced from PubChem (CID 11552283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).