ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate

C20H16N4O2 — CID 20854905

IUPACethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(-c3ccccn3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H16N4O2/c1-2-26-20(25)19-12-17(23-24-19)14-11-18(16-9-5-6-10-21-16)22-15-8-4-3-7-13(14)15/h3-12H,2H2,1H3,(H,23,24)
InChIKeyHYNIVJUQPZBUIX-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.86
Rot. Bonds4

About ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate

ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate (PubChem CID 20854905) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate
PubChem CID20854905
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Nameethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(-c3ccccn3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H16N4O2/c1-2-26-20(25)19-12-17(23-24-19)14-11-18(16-9-5-6-10-21-16)22-15-8-4-3-7-13(14)15/h3-12H,2H2,1H3,(H,23,24)
InChIKeyHYNIVJUQPZBUIX-UHFFFAOYSA-N
XLogP3.86
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate (CID 20854905) is ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2cc(-c3ccccn3)nc3ccccc23)n[nH]1.
What is the InChIKey of ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is HYNIVJUQPZBUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-2-26-20(25)19-12-17(23-24-19)14-11-18(16-9-5-6-10-21-16)22-15-8-4-3-7-13(14)15/h3-12H,2H2,1H3,(H,23,24).
What are the key properties of ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate?
ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-pyridin-2-ylquinolin-4-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 20854905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).