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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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).