3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole

C12H9N3O2 — CID 107388095

IUPAC3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
SMILESc1ccc2ncc(OCc3ncon3)cc2c1
InChIInChI=1S/C12H9N3O2/c1-2-4-11-9(3-1)5-10(6-13-11)16-7-12-14-8-17-15-12/h1-6,8H,7H2
InChIKeyQXBKSHJDOHSTFC-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.20
Rot. Bonds3

About 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole

3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 107388095) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
PubChem CID107388095
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
SMILESc1ccc2ncc(OCc3ncon3)cc2c1
InChIInChI=1S/C12H9N3O2/c1-2-4-11-9(3-1)5-10(6-13-11)16-7-12-14-8-17-15-12/h1-6,8H,7H2
InChIKeyQXBKSHJDOHSTFC-UHFFFAOYSA-N
XLogP2.20
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
CID 102847040
3-(bromomethoxy)quinoline
CID 54277099
2-quinolin-3-yloxyethanol
CID 102847036
2-quinolin-3-yloxyethanamine
CID 84661473
3-[(5-bromo-2-pyridinyl)methoxy]quinoline
CID 107388127
3-prop-2-ynoxyquinoline
CID 102847055
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
3-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 60701107
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999
2-ethyl-4-(quinolin-3-yloxymethyl)-1,3-thiazole
CID 102846975
3-[(2-fluoro-4-methoxyphenyl)methoxy]quinoline
CID 107388111
3-[(4-fluorophenoxy)methyl]quinoline
CID 174564086

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole (CID 107388095) is 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole is c1ccc2ncc(OCc3ncon3)cc2c1.
What is the InChIKey of 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is QXBKSHJDOHSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-2-4-11-9(3-1)5-10(6-13-11)16-7-12-14-8-17-15-12/h1-6,8H,7H2.
What are the key properties of 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole?
3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 227.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 107388095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).