3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one

C20H17N3O3 — CID 651486

IUPAC3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
SMILESCCOc1ccccc1-c1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1
InChIInChI=1S/C20H17N3O3/c1-3-25-17-7-5-4-6-14(17)20-22-18(23-26-20)15-11-13-9-8-12(2)10-16(13)21-19(15)24/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyCVFKEXOECXHGDG-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.95
Rot. Bonds4

About 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one

3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one (PubChem CID 651486) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
PubChem CID651486
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
SMILESCCOc1ccccc1-c1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1
InChIInChI=1S/C20H17N3O3/c1-3-25-17-7-5-4-6-14(17)20-22-18(23-26-20)15-11-13-9-8-12(2)10-16(13)21-19(15)24/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyCVFKEXOECXHGDG-UHFFFAOYSA-N
XLogP3.95
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.95
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
5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
5-(2-Ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 648645
3-(2-Ethoxy-6-methylpyridin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 655513
6-Methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 946390
6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2(1H)-one
CID 664662
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
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-methoxyphenyl)acetamide
CID 3236909
3-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-yl]-6-methoxy-quinolin-2-ol
CID 651756
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 665498
4-(5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)-N,N-dimethylaniline
CID 15665937

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one (CID 651486) is 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one is CCOc1ccccc1-c1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1.
What is the InChIKey of 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one?
The InChIKey is CVFKEXOECXHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-3-25-17-7-5-4-6-14(17)20-22-18(23-26-20)15-11-13-9-8-12(2)10-16(13)21-19(15)24/h4-11H,3H2,1-2H3,(H,21,24).
What are the key properties of 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one?
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 651486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).