3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one

C16H10N4O2 — CID 647656

IUPAC3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C16H10N4O2/c21-15-12(8-10-4-1-2-6-13(10)18-15)14-19-16(22-20-14)11-5-3-7-17-9-11/h1-9H,(H,18,21)
InChIKeyMQEFITHSGHATBD-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.64
Rot. Bonds2

About 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one

3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (PubChem CID 647656) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
PubChem CID647656
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C16H10N4O2/c21-15-12(8-10-4-1-2-6-13(10)18-15)14-19-16(22-20-14)11-5-3-7-17-9-11/h1-9H,(H,18,21)
InChIKeyMQEFITHSGHATBD-UHFFFAOYSA-N
XLogP2.64
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
N-[4-(5-thien-2-yl-1,2,4-oxadiazol-3-yl)phenyl]nicotinamide
CID 3240032
5-(4-Nitrophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 867087
N-{4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3243836
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880
2-[5-(3-Pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 798247
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)pyridine
CID 798732
5-(3-Nitrophenyl)-3-(pyridin-3-yl)-1,2,4-oxadiazole
CID 867099
3-Phenyl-5-(3-pyridyl)-1,2,4-oxadiazole
CID 1122276
5-[4-[1-(5-Pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68074929
4-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763852
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (CID 647656) is 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The InChIKey is MQEFITHSGHATBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c21-15-12(8-10-4-1-2-6-13(10)18-15)14-19-16(22-20-14)11-5-3-7-17-9-11/h1-9H,(H,18,21).
What are the key properties of 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one has a molecular weight of 290.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is sourced from PubChem (CID 647656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).