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

C18H19N3O2 — CID 942953

IUPAC3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(-c3noc(C4CCCCC4)n3)c(=O)[nH]c2c1
InChIInChI=1S/C18H19N3O2/c1-11-7-8-13-10-14(17(22)19-15(13)9-11)16-20-18(23-21-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,19,22)
InChIKeyAZGOYQXRZVMMOA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.93
Rot. Bonds2

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

3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one (PubChem CID 942953) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
PubChem CID942953
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(-c3noc(C4CCCCC4)n3)c(=O)[nH]c2c1
InChIInChI=1S/C18H19N3O2/c1-11-7-8-13-10-14(17(22)19-15(13)9-11)16-20-18(23-21-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,19,22)
InChIKeyAZGOYQXRZVMMOA-UHFFFAOYSA-N
XLogP3.93
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one (CID 942953) is 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(-c3noc(C4CCCCC4)n3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The InChIKey is AZGOYQXRZVMMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-7-8-13-10-14(17(22)19-15(13)9-11)16-20-18(23-21-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,19,22).
What are the key properties of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 942953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).