3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one

C28H16N6O3 — CID 146644700

IUPAC3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cccc3cccnc23)n1-c1ccccc1-c1nc(-c2cccc3cccnc23)no1
InChIInChI=1S/C28H16N6O3/c35-28-34(26(33-37-28)21-13-4-8-18-10-6-16-30-24(18)21)22-14-2-1-11-19(22)27-31-25(32-36-27)20-12-3-7-17-9-5-15-29-23(17)20/h1-16H
InChIKeyNNBPFIDPEJLNTH-UHFFFAOYSA-N
MW484.48 g/mol
LogP5.31
Rot. Bonds4

About 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one

3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one (PubChem CID 146644700) has the molecular formula C28H16N6O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one
PubChem CID146644700
Molecular FormulaC28H16N6O3
Molecular Weight484.48 g/mol
Exact Mass484.13
IUPAC Name3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cccc3cccnc23)n1-c1ccccc1-c1nc(-c2cccc3cccnc23)no1
InChIInChI=1S/C28H16N6O3/c35-28-34(26(33-37-28)21-13-4-8-18-10-6-16-30-24(18)21)22-14-2-1-11-19(22)27-31-25(32-36-27)20-12-3-7-17-9-5-15-29-23(17)20/h1-16H
InChIKeyNNBPFIDPEJLNTH-UHFFFAOYSA-N
XLogP5.31
TPSA112.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one (CID 146644700) is 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2cccc3cccnc23)n1-c1ccccc1-c1nc(-c2cccc3cccnc23)no1.
What is the InChIKey of 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one?
The InChIKey is NNBPFIDPEJLNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N6O3/c35-28-34(26(33-37-28)21-13-4-8-18-10-6-16-30-24(18)21)22-14-2-1-11-19(22)27-31-25(32-36-27)20-12-3-7-17-9-5-15-29-23(17)20/h1-16H.
What are the key properties of 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one?
3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one has a molecular weight of 484.48 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-8-yl-4-[2-(3-quinolin-8-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146644700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).