1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane

C15H13FN2O — CID 166682867

IUPAC1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane
SMILESFc1ccc2nccc(OCC34C5CNC3C54)c2c1
InChIInChI=1S/C15H13FN2O/c16-8-1-2-11-9(5-8)12(3-4-17-11)19-7-15-10-6-18-14(15)13(10)15/h1-5,10,13-14,18H,6-7H2
InChIKeySPBRRNIDIQUWBD-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.97
Rot. Bonds3

About 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane

1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane (PubChem CID 166682867) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane.

Molecular Properties

Compound Name1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane
PubChem CID166682867
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane
SMILESFc1ccc2nccc(OCC34C5CNC3C54)c2c1
InChIInChI=1S/C15H13FN2O/c16-8-1-2-11-9(5-8)12(3-4-17-11)19-7-15-10-6-18-14(15)13(10)15/h1-5,10,13-14,18H,6-7H2
InChIKeySPBRRNIDIQUWBD-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane?
The IUPAC name of 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane (CID 166682867) is 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane.
What is the SMILES notation for 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane?
The canonical SMILES for 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane is Fc1ccc2nccc(OCC34C5CNC3C54)c2c1.
What is the InChIKey of 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane?
The InChIKey is SPBRRNIDIQUWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-8-1-2-11-9(5-8)12(3-4-17-11)19-7-15-10-6-18-14(15)13(10)15/h1-5,10,13-14,18H,6-7H2.
What are the key properties of 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane?
1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane has a molecular weight of 256.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane is sourced from PubChem (CID 166682867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).