benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

C24H24N2O3 — CID 171956189

IUPACbenzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1C2CCC1CC(O)(c1ccc3ccccc3n1)C2
InChIInChI=1S/C24H24N2O3/c27-23(29-16-17-6-2-1-3-7-17)26-19-11-12-20(26)15-24(28,14-19)22-13-10-18-8-4-5-9-21(18)25-22/h1-10,13,19-20,28H,11-12,14-16H2
InChIKeyQYVDUIAPDJNVJU-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.39
Rot. Bonds3

About benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171956189) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171956189
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Namebenzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1C2CCC1CC(O)(c1ccc3ccccc3n1)C2
InChIInChI=1S/C24H24N2O3/c27-23(29-16-17-6-2-1-3-7-17)26-19-11-12-20(26)15-24(28,14-19)22-13-10-18-8-4-5-9-21(18)25-22/h1-10,13,19-20,28H,11-12,14-16H2
InChIKeyQYVDUIAPDJNVJU-UHFFFAOYSA-N
XLogP4.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-hydroxy-3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171951838
benzyl 3-hydroxy-3-naphthalen-2-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956442
benzyl 3-hydroxy-3-(6-methoxypyridazin-3-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958077
benzyl 3-hydroxy-3-(2-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171965013
benzyl 3-hydroxy-3-(1-methylindazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956361
benzyl 3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171964623
benzyl 3-hydroxy-3-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171964525
benzyl 3-hydroxy-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171957413
benzyl 3-hydroxy-3-isoquinolin-4-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956101
benzyl 3-(3-ethylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171958647
benzyl 3-[2-(difluoromethyl)phenyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171961902
benzyl 3-hydroxy-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171962074

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171956189) is benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OCc1ccccc1)N1C2CCC1CC(O)(c1ccc3ccccc3n1)C2.
What is the InChIKey of benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is QYVDUIAPDJNVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-23(29-16-17-6-2-1-3-7-17)26-19-11-12-20(26)15-24(28,14-19)22-13-10-18-8-4-5-9-21(18)25-22/h1-10,13,19-20,28H,11-12,14-16H2.
What are the key properties of benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-3-quinolin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171956189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).