8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C21H21N5O — CID 58303720

IUPAC8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESc1cc(OCC2CCCNC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIInChI=1S/C21H21N5O/c1-2-12-26-19(8-1)24-25-21(26)17-10-9-16-6-3-7-18(20(16)23-17)27-14-15-5-4-11-22-13-15/h1-3,6-10,12,15,22H,4-5,11,13-14H2
InChIKeyFUGPTCJAZZYCRJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.32
Rot. Bonds4

About 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 58303720) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID58303720
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESc1cc(OCC2CCCNC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIInChI=1S/C21H21N5O/c1-2-12-26-19(8-1)24-25-21(26)17-10-9-16-6-3-7-18(20(16)23-17)27-14-15-5-4-11-22-13-15/h1-3,6-10,12,15,22H,4-5,11,13-14H2
InChIKeyFUGPTCJAZZYCRJ-UHFFFAOYSA-N
XLogP3.32
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 58303720) is 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is c1cc(OCC2CCCNC2)c2nc(-c3nnc4ccccn34)ccc2c1.
What is the InChIKey of 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is FUGPTCJAZZYCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-2-12-26-19(8-1)24-25-21(26)17-10-9-16-6-3-7-18(20(16)23-17)27-14-15-5-4-11-22-13-15/h1-3,6-10,12,15,22H,4-5,11,13-14H2.
What are the key properties of 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 359.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperidin-3-ylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 58303720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).