3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole

C11H6IN3O — CID 112572320

IUPAC3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole
SMILESIc1noc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C11H6IN3O/c12-11-14-10(16-15-11)9-6-5-7-3-1-2-4-8(7)13-9/h1-6H
InChIKeyMEVZUIALLVUKJY-UHFFFAOYSA-N
MW323.09 g/mol
LogP2.89
Rot. Bonds1

About 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole

3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole (PubChem CID 112572320) has the molecular formula C11H6IN3O and a molecular weight of 323.09 g/mol. Its IUPAC name is 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole
PubChem CID112572320
Molecular FormulaC11H6IN3O
Molecular Weight323.09 g/mol
Exact Mass322.96
IUPAC Name3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole
SMILESIc1noc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C11H6IN3O/c12-11-14-10(16-15-11)9-6-5-7-3-1-2-4-8(7)13-9/h1-6H
InChIKeyMEVZUIALLVUKJY-UHFFFAOYSA-N
XLogP2.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole (CID 112572320) is 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole is Ic1noc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole?
The InChIKey is MEVZUIALLVUKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6IN3O/c12-11-14-10(16-15-11)9-6-5-7-3-1-2-4-8(7)13-9/h1-6H.
What are the key properties of 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole?
3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole has a molecular weight of 323.09 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 112572320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).