4-quinolin-3-yl-2,1,3-benzoxadiazole

C15H9N3O — CID 91463499

IUPAC4-quinolin-3-yl-2,1,3-benzoxadiazole
SMILESc1ccc2ncc(-c3cccc4nonc34)cc2c1
InChIInChI=1S/C15H9N3O/c1-2-6-13-10(4-1)8-11(9-16-13)12-5-3-7-14-15(12)18-19-17-14/h1-9H
InChIKeySNHBBTAXSVADJA-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.44
Rot. Bonds1

About 4-quinolin-3-yl-2,1,3-benzoxadiazole

4-quinolin-3-yl-2,1,3-benzoxadiazole (PubChem CID 91463499) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-quinolin-3-yl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-quinolin-3-yl-2,1,3-benzoxadiazole
PubChem CID91463499
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name4-quinolin-3-yl-2,1,3-benzoxadiazole
SMILESc1ccc2ncc(-c3cccc4nonc34)cc2c1
InChIInChI=1S/C15H9N3O/c1-2-6-13-10(4-1)8-11(9-16-13)12-5-3-7-14-15(12)18-19-17-14/h1-9H
InChIKeySNHBBTAXSVADJA-UHFFFAOYSA-N
XLogP3.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-3-yl-2,1,3-benzoxadiazole?
The IUPAC name of 4-quinolin-3-yl-2,1,3-benzoxadiazole (CID 91463499) is 4-quinolin-3-yl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-quinolin-3-yl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-quinolin-3-yl-2,1,3-benzoxadiazole is c1ccc2ncc(-c3cccc4nonc34)cc2c1.
What is the InChIKey of 4-quinolin-3-yl-2,1,3-benzoxadiazole?
The InChIKey is SNHBBTAXSVADJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c1-2-6-13-10(4-1)8-11(9-16-13)12-5-3-7-14-15(12)18-19-17-14/h1-9H.
What are the key properties of 4-quinolin-3-yl-2,1,3-benzoxadiazole?
4-quinolin-3-yl-2,1,3-benzoxadiazole has a molecular weight of 247.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-3-yl-2,1,3-benzoxadiazole is sourced from PubChem (CID 91463499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).