2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide

C17H13N5O — CID 51090578

IUPAC2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
SMILESO=C(Cc1cccc2cccnc12)Nc1nnc2ccccn12
InChIInChI=1S/C17H13N5O/c23-15(19-17-21-20-14-8-1-2-10-22(14)17)11-13-6-3-5-12-7-4-9-18-16(12)13/h1-10H,11H2,(H,19,21,23)
InChIKeyQCVFGCQNBDTJSZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.46
Rot. Bonds3

About 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide

2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide (PubChem CID 51090578) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
PubChem CID51090578
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
SMILESO=C(Cc1cccc2cccnc12)Nc1nnc2ccccn12
InChIInChI=1S/C17H13N5O/c23-15(19-17-21-20-14-8-1-2-10-22(14)17)11-13-6-3-5-12-7-4-9-18-16(12)13/h1-10H,11H2,(H,19,21,23)
InChIKeyQCVFGCQNBDTJSZ-UHFFFAOYSA-N
XLogP2.46
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide (CID 51090578) is 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide is O=C(Cc1cccc2cccnc12)Nc1nnc2ccccn12.
What is the InChIKey of 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The InChIKey is QCVFGCQNBDTJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-15(19-17-21-20-14-8-1-2-10-22(14)17)11-13-6-3-5-12-7-4-9-18-16(12)13/h1-10H,11H2,(H,19,21,23).
What are the key properties of 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 51090578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).