6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one

C18H13N3O3 — CID 664662

IUPAC6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4)n3)cc2c1
InChIInChI=1S/C18H13N3O3/c1-23-13-7-8-15-12(9-13)10-14(17(22)19-15)16-20-18(24-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,22)
InChIKeyBRKAIFLXINCNLS-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.25
Rot. Bonds3

About 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one

6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (PubChem CID 664662) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
PubChem CID664662
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4)n3)cc2c1
InChIInChI=1S/C18H13N3O3/c1-23-13-7-8-15-12(9-13)10-14(17(22)19-15)16-20-18(24-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,22)
InChIKeyBRKAIFLXINCNLS-UHFFFAOYSA-N
XLogP3.25
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 665754
6-Methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 946390
2-Methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
CID 4034528
3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 4973003
2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 2201684
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(2-methoxyphenyl)acetamide
CID 2202984
3-(5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl)-6-methoxyquinolin-2-ol
CID 651756
3-[5-(2-Ethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-7-methyl-quinolin-2-ol
CID 651486
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 665498
N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 665676

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (CID 664662) is 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4)n3)cc2c1.
What is the InChIKey of 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The InChIKey is BRKAIFLXINCNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-23-13-7-8-15-12(9-13)10-14(17(22)19-15)16-20-18(24-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,22).
What are the key properties of 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one has a molecular weight of 319.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is sourced from PubChem (CID 664662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).