4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid

C21H19N5O3 — CID 67234704

IUPAC4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIInChI=1S/C21H19N5O3/c27-21(28)25-12-9-15(10-13-25)29-17-5-3-4-14-7-8-16(22-19(14)17)20-24-23-18-6-1-2-11-26(18)20/h1-8,11,15H,9-10,12-13H2,(H,27,28)
InChIKeyDZSQOERQMGOAGD-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.47
Rot. Bonds3

About 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid

4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid (PubChem CID 67234704) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
PubChem CID67234704
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIInChI=1S/C21H19N5O3/c27-21(28)25-12-9-15(10-13-25)29-17-5-3-4-14-7-8-16(22-19(14)17)20-24-23-18-6-1-2-11-26(18)20/h1-8,11,15H,9-10,12-13H2,(H,27,28)
InChIKeyDZSQOERQMGOAGD-UHFFFAOYSA-N
XLogP3.47
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid (CID 67234704) is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1.
What is the InChIKey of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is DZSQOERQMGOAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-21(28)25-12-9-15(10-13-25)29-17-5-3-4-14-7-8-16(22-19(14)17)20-24-23-18-6-1-2-11-26(18)20/h1-8,11,15H,9-10,12-13H2,(H,27,28).
What are the key properties of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid?
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 389.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67234704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).