3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole

C19H16N4O2 — CID 3586075

IUPAC3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1nc2cc(C)ccc2cc1-c1noc(-c2ccncc2)n1
InChIInChI=1S/C19H16N4O2/c1-3-24-19-15(11-14-5-4-12(2)10-16(14)21-19)17-22-18(25-23-17)13-6-8-20-9-7-13/h4-11H,3H2,1-2H3
InChIKeyNFMHJZVCNRSCJH-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.05
Rot. Bonds4

About 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole

3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 3586075) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID3586075
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1nc2cc(C)ccc2cc1-c1noc(-c2ccncc2)n1
InChIInChI=1S/C19H16N4O2/c1-3-24-19-15(11-14-5-4-12(2)10-16(14)21-19)17-22-18(25-23-17)13-6-8-20-9-7-13/h4-11H,3H2,1-2H3
InChIKeyNFMHJZVCNRSCJH-UHFFFAOYSA-N
XLogP4.05
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole (CID 3586075) is 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole is CCOc1nc2cc(C)ccc2cc1-c1noc(-c2ccncc2)n1.
What is the InChIKey of 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is NFMHJZVCNRSCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-3-24-19-15(11-14-5-4-12(2)10-16(14)21-19)17-22-18(25-23-17)13-6-8-20-9-7-13/h4-11H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole?
3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 3586075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).