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

C14H13N3O2 — CID 654916

IUPAC3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
SMILESCCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1
InChIInChI=1S/C14H13N3O2/c1-3-12-16-13(17-19-12)10-7-9-5-4-8(2)6-11(9)15-14(10)18/h4-7H,3H2,1-2H3,(H,15,18)
InChIKeyDBNAKINIEHEVIH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.45
Rot. Bonds2

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

3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one (PubChem CID 654916) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
PubChem CID654916
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
SMILESCCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1
InChIInChI=1S/C14H13N3O2/c1-3-12-16-13(17-19-12)10-7-9-5-4-8(2)6-11(9)15-14(10)18/h4-7H,3H2,1-2H3,(H,15,18)
InChIKeyDBNAKINIEHEVIH-UHFFFAOYSA-N
XLogP2.45
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Isobutyl-[1,2,4]oxadiazol-3-yl)-6-methyl-quinolin-2-ol
CID 942493
3-(5-Propyl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 943777
3-(5-Isopropyl-1,2,4-oxadiazol-3-YL)-6-methylquinolin-2-OL
CID 942348
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 22493359
6-Methyl-3-(5-propyl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 939468
N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 665846
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)propanamide
CID 16013254
7-Methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 647314
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methylquinolin-2(1H)-one
CID 942953
3-(5-Methyl-1,2,4-oxadiazol-3-yl)aniline
CID 11423869
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)aniline
CID 11344484
3-(5-Tert-butyl-1,2,4-oxadiazol-3-ylidene)-7-methyl-2-quinolinone
CID 655150

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one (CID 654916) is 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one is CCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1.
What is the InChIKey of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The InChIKey is DBNAKINIEHEVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-3-12-16-13(17-19-12)10-7-9-5-4-8(2)6-11(9)15-14(10)18/h4-7H,3H2,1-2H3,(H,15,18).
What are the key properties of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one has a molecular weight of 255.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 654916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).