[1,2,5]oxadiazolo[3,4-c]quinoline

C9H5N3O — CID 91665531

IUPAC[1,2,5]oxadiazolo[3,4-c]quinoline
SMILESc1ccc2c(c1)ncc1nonc12
InChIInChI=1S/C9H5N3O/c1-2-4-7-6(3-1)9-8(5-10-7)11-13-12-9/h1-5H
InChIKeyGUMVDHQIEZDOND-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.77
Rot. Bonds

About [1,2,5]oxadiazolo[3,4-c]quinoline

[1,2,5]oxadiazolo[3,4-c]quinoline (PubChem CID 91665531) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is [1,2,5]oxadiazolo[3,4-c]quinoline.

Molecular Properties

Compound Name[1,2,5]oxadiazolo[3,4-c]quinoline
PubChem CID91665531
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name[1,2,5]oxadiazolo[3,4-c]quinoline
SMILESc1ccc2c(c1)ncc1nonc12
InChIInChI=1S/C9H5N3O/c1-2-4-7-6(3-1)9-8(5-10-7)11-13-12-9/h1-5H
InChIKeyGUMVDHQIEZDOND-UHFFFAOYSA-N
XLogP1.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,2,5]oxadiazolo[3,4-c]quinoline?
The IUPAC name of [1,2,5]oxadiazolo[3,4-c]quinoline (CID 91665531) is [1,2,5]oxadiazolo[3,4-c]quinoline.
What is the SMILES notation for [1,2,5]oxadiazolo[3,4-c]quinoline?
The canonical SMILES for [1,2,5]oxadiazolo[3,4-c]quinoline is c1ccc2c(c1)ncc1nonc12.
What is the InChIKey of [1,2,5]oxadiazolo[3,4-c]quinoline?
The InChIKey is GUMVDHQIEZDOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c1-2-4-7-6(3-1)9-8(5-10-7)11-13-12-9/h1-5H.
What are the key properties of [1,2,5]oxadiazolo[3,4-c]quinoline?
[1,2,5]oxadiazolo[3,4-c]quinoline has a molecular weight of 171.16 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,5]oxadiazolo[3,4-c]quinoline is sourced from PubChem (CID 91665531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).