8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C17H19FN2O — CID 63770132

IUPAC8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ccc(F)c2cccnc12
InChIInChI=1S/C17H19FN2O/c18-16-6-3-11(17-15(16)2-1-7-19-17)10-20-12-4-5-13(20)9-14(21)8-12/h1-3,6-7,12-14,21H,4-5,8-10H2
InChIKeyVRXKVLWKZQXLLG-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.86
Rot. Bonds2

About 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770132) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770132
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ccc(F)c2cccnc12
InChIInChI=1S/C17H19FN2O/c18-16-6-3-11(17-15(16)2-1-7-19-17)10-20-12-4-5-13(20)9-14(21)8-12/h1-3,6-7,12-14,21H,4-5,8-10H2
InChIKeyVRXKVLWKZQXLLG-UHFFFAOYSA-N
XLogP2.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63770132) is 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1ccc(F)c2cccnc12.
What is the InChIKey of 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VRXKVLWKZQXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-16-6-3-11(17-15(16)2-1-7-19-17)10-20-12-4-5-13(20)9-14(21)8-12/h1-3,6-7,12-14,21H,4-5,8-10H2.
What are the key properties of 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 286.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).