5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline

C19H17FN2O — CID 74238263

IUPAC5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline
SMILESFc1ccccc1OC1CN(Cc2cccc3ncccc23)C1
InChIInChI=1S/C19H17FN2O/c20-17-7-1-2-9-19(17)23-15-12-22(13-15)11-14-5-3-8-18-16(14)6-4-10-21-18/h1-10,15H,11-13H2
InChIKeyDXWCVTCTXQMOBW-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.64
Rot. Bonds4

About 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline

5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline (PubChem CID 74238263) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline
PubChem CID74238263
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline
SMILESFc1ccccc1OC1CN(Cc2cccc3ncccc23)C1
InChIInChI=1S/C19H17FN2O/c20-17-7-1-2-9-19(17)23-15-12-22(13-15)11-14-5-3-8-18-16(14)6-4-10-21-18/h1-10,15H,11-13H2
InChIKeyDXWCVTCTXQMOBW-UHFFFAOYSA-N
XLogP3.64
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline?
The IUPAC name of 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline (CID 74238263) is 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline.
What is the SMILES notation for 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline?
The canonical SMILES for 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline is Fc1ccccc1OC1CN(Cc2cccc3ncccc23)C1.
What is the InChIKey of 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline?
The InChIKey is DXWCVTCTXQMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-7-1-2-9-19(17)23-15-12-22(13-15)11-14-5-3-8-18-16(14)6-4-10-21-18/h1-10,15H,11-13H2.
What are the key properties of 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline?
5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline has a molecular weight of 308.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline is sourced from PubChem (CID 74238263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).