6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C21H19F2N5O — CID 58303710

IUPAC6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFc1cc(OCC2(F)CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIInChI=1S/C21H19F2N5O/c22-15-11-14-4-5-16(20-27-26-18-3-1-2-10-28(18)20)25-19(14)17(12-15)29-13-21(23)6-8-24-9-7-21/h1-5,10-12,24H,6-9,13H2
InChIKeyNQXPYPBIBFFEAE-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.55
Rot. Bonds4

About 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 58303710) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID58303710
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFc1cc(OCC2(F)CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIInChI=1S/C21H19F2N5O/c22-15-11-14-4-5-16(20-27-26-18-3-1-2-10-28(18)20)25-19(14)17(12-15)29-13-21(23)6-8-24-9-7-21/h1-5,10-12,24H,6-9,13H2
InChIKeyNQXPYPBIBFFEAE-UHFFFAOYSA-N
XLogP3.55
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 58303710) is 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is Fc1cc(OCC2(F)CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1.
What is the InChIKey of 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is NQXPYPBIBFFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-15-11-14-4-5-16(20-27-26-18-3-1-2-10-28(18)20)25-19(14)17(12-15)29-13-21(23)6-8-24-9-7-21/h1-5,10-12,24H,6-9,13H2.
What are the key properties of 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 395.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 58303710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).