3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C17H19FN2O — CID 171962848

IUPAC3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2cc3cccnc3cc2F)CC2CCCC(C1)N2
InChIInChI=1S/C17H19FN2O/c18-15-8-16-11(3-2-6-19-16)7-14(15)17(21)9-12-4-1-5-13(10-17)20-12/h2-3,6-8,12-13,20-21H,1,4-5,9-10H2
InChIKeyGCORVZWOFHUMSM-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.87
Rot. Bonds1

About 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171962848) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171962848
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2cc3cccnc3cc2F)CC2CCCC(C1)N2
InChIInChI=1S/C17H19FN2O/c18-15-8-16-11(3-2-6-19-16)7-14(15)17(21)9-12-4-1-5-13(10-17)20-12/h2-3,6-8,12-13,20-21H,1,4-5,9-10H2
InChIKeyGCORVZWOFHUMSM-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171962848) is 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1(c2cc3cccnc3cc2F)CC2CCCC(C1)N2.
What is the InChIKey of 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is GCORVZWOFHUMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-15-8-16-11(3-2-6-19-16)7-14(15)17(21)9-12-4-1-5-13(10-17)20-12/h2-3,6-8,12-13,20-21H,1,4-5,9-10H2.
What are the key properties of 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 286.35 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171962848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).