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

C21H20N4O — CID 58303665

IUPAC8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESc1cc(OCC2CCCC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIInChI=1S/C21H20N4O/c1-2-7-15(6-1)14-26-18-9-5-8-16-11-12-17(22-20(16)18)21-24-23-19-10-3-4-13-25(19)21/h3-5,8-13,15H,1-2,6-7,14H2
InChIKeyQLRXMDXARPXKSJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.51
Rot. Bonds4

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

8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 58303665) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID58303665
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESc1cc(OCC2CCCC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIInChI=1S/C21H20N4O/c1-2-7-15(6-1)14-26-18-9-5-8-16-11-12-17(22-20(16)18)21-24-23-19-10-3-4-13-25(19)21/h3-5,8-13,15H,1-2,6-7,14H2
InChIKeyQLRXMDXARPXKSJ-UHFFFAOYSA-N
XLogP4.51
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline with MolForge

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Related Compounds

8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233383
8-[(4S,5S)-5-fluoroazepan-4-yl]oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 67230102
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
CID 67234704
8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67234468
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid
CID 67231057
[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid
CID 67230169
(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine
CID 58303770
[(3S)-1-[1-[3-[8-(cyclopropylmethoxy)quinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-yl]carbamic acid
CID 70984593
[(3R)-1-[1-[3-[8-(cyclopropylmethoxy)quinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-yl]carbamic acid
CID 70984024
(2S,4S)-N-methoxy-N-methyl-4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxamide;dihydrochloride
CID 86654360
4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid
CID 141325023
(1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol
CID 141261022

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 58303665) is 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is c1cc(OCC2CCCC2)c2nc(-c3nnc4ccccn34)ccc2c1.
What is the InChIKey of 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is QLRXMDXARPXKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-7-15(6-1)14-26-18-9-5-8-16-11-12-17(22-20(16)18)21-24-23-19-10-3-4-13-25(19)21/h3-5,8-13,15H,1-2,6-7,14H2.
What are the key properties of 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 344.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 58303665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).