8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C21H20FN5O — CID 58303650

IUPAC8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFC1CCNCCC1Oc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIInChI=1S/C21H20FN5O/c22-15-9-11-23-12-10-17(15)28-18-5-3-4-14-7-8-16(24-20(14)18)21-26-25-19-6-1-2-13-27(19)21/h1-8,13,15,17,23H,9-12H2
InChIKeyCBZNDVANLGVAAJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.41
Rot. Bonds3

About 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 58303650) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID58303650
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFC1CCNCCC1Oc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIInChI=1S/C21H20FN5O/c22-15-9-11-23-12-10-17(15)28-18-5-3-4-14-7-8-16(24-20(14)18)21-26-25-19-6-1-2-13-27(19)21/h1-8,13,15,17,23H,9-12H2
InChIKeyCBZNDVANLGVAAJ-UHFFFAOYSA-N
XLogP3.41
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 58303650) is 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is FC1CCNCCC1Oc1cccc2ccc(-c3nnc4ccccn34)nc12.
What is the InChIKey of 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is CBZNDVANLGVAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-15-9-11-23-12-10-17(15)28-18-5-3-4-14-7-8-16(24-20(14)18)21-26-25-19-6-1-2-13-27(19)21/h1-8,13,15,17,23H,9-12H2.
What are the key properties of 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 377.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoroazepan-4-yl)oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 58303650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).