8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride

C19H18Cl2FN5O — CID 67233383

IUPAC8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
SMILESCl.Cl.FC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CNC1
InChIInChI=1S/C19H16FN5O.2ClH/c20-19(10-21-11-19)12-26-15-5-3-4-13-7-8-14(22-17(13)15)18-24-23-16-6-1-2-9-25(16)18;;/h1-9,21H,10-12H2;2*1H
InChIKeyAYPYPTFIKZRSIL-UHFFFAOYSA-N
MW422.29 g/mol
LogP3.48
Rot. Bonds4

About 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride

8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride (PubChem CID 67233383) has the molecular formula C19H18Cl2FN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride.

Molecular Properties

Compound Name8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
PubChem CID67233383
Molecular FormulaC19H18Cl2FN5O
Molecular Weight422.29 g/mol
Exact Mass421.09
IUPAC Name8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
SMILESCl.Cl.FC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CNC1
InChIInChI=1S/C19H16FN5O.2ClH/c20-19(10-21-11-19)12-26-15-5-3-4-13-7-8-14(22-17(13)15)18-24-23-16-6-1-2-9-25(16)18;;/h1-9,21H,10-12H2;2*1H
InChIKeyAYPYPTFIKZRSIL-UHFFFAOYSA-N
XLogP3.48
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?
The IUPAC name of 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride (CID 67233383) is 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride.
What is the SMILES notation for 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?
The canonical SMILES for 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride is Cl.Cl.FC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CNC1.
What is the InChIKey of 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?
The InChIKey is AYPYPTFIKZRSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O.2ClH/c20-19(10-21-11-19)12-26-15-5-3-4-13-7-8-14(22-17(13)15)18-24-23-16-6-1-2-9-25(16)18;;/h1-9,21H,10-12H2;2*1H.
What are the key properties of 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?
8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride has a molecular weight of 422.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride is sourced from PubChem (CID 67233383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).