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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Related Compounds

6-fluoro-4-phenylmethoxyquinoline
CID 164587586
2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal
CID 166682872
4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline
CID 153395551
6-fluoro-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 95929826
2-(4-chlorophenyl)-N-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]acetamide;2-(4-chlorophenyl)-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide;methane
CID 158336598
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
(5Z)-5-[(4-ethoxyquinolin-6-yl)methylidene]-2-[2-(3-fluorophenyl)ethylimino]-1,3-thiazolidin-4-one
CID 135989934
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
6-fluoro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 68720572
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
1-[(1S,3R,6R,7S)-3-(6-fluoroquinolin-4-yl)oxy-7-bicyclo[4.1.0]heptanyl]ethanone
CID 156541889
6-fluoro-4-[[(1R,5S)-6-[(Z)-1-methoxyprop-1-en-2-yl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318432

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).