4-quinolin-3-yloxadiazole

C11H7N3O — CID 91189837

IUPAC4-quinolin-3-yloxadiazole
SMILESc1ccc2ncc(-c3conn3)cc2c1
InChIInChI=1S/C11H7N3O/c1-2-4-10-8(3-1)5-9(6-12-10)11-7-15-14-13-11/h1-7H
InChIKeyLHOGCERBPRPRQI-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.28
Rot. Bonds1

About 4-quinolin-3-yloxadiazole

4-quinolin-3-yloxadiazole (PubChem CID 91189837) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-quinolin-3-yloxadiazole.

Molecular Properties

Compound Name4-quinolin-3-yloxadiazole
PubChem CID91189837
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name4-quinolin-3-yloxadiazole
SMILESc1ccc2ncc(-c3conn3)cc2c1
InChIInChI=1S/C11H7N3O/c1-2-4-10-8(3-1)5-9(6-12-10)11-7-15-14-13-11/h1-7H
InChIKeyLHOGCERBPRPRQI-UHFFFAOYSA-N
XLogP2.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-3-yloxadiazole?
The IUPAC name of 4-quinolin-3-yloxadiazole (CID 91189837) is 4-quinolin-3-yloxadiazole.
What is the SMILES notation for 4-quinolin-3-yloxadiazole?
The canonical SMILES for 4-quinolin-3-yloxadiazole is c1ccc2ncc(-c3conn3)cc2c1.
What is the InChIKey of 4-quinolin-3-yloxadiazole?
The InChIKey is LHOGCERBPRPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c1-2-4-10-8(3-1)5-9(6-12-10)11-7-15-14-13-11/h1-7H.
What are the key properties of 4-quinolin-3-yloxadiazole?
4-quinolin-3-yloxadiazole has a molecular weight of 197.20 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-3-yloxadiazole is sourced from PubChem (CID 91189837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).