3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one

C20H24N4O2 — CID 91841894

IUPAC3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one
SMILESCCN(Cc1noc(C2CCC2)n1)Cc1cc2ccccc2n(C)c1=O
InChIInChI=1S/C20H24N4O2/c1-3-24(13-18-21-19(26-22-18)14-8-6-9-14)12-16-11-15-7-4-5-10-17(15)23(2)20(16)25/h4-5,7,10-11,14H,3,6,8-9,12-13H2,1-2H3
InChIKeyJZUAVNHJVHGNFG-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.21
Rot. Bonds6

About 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one

3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one (PubChem CID 91841894) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one
PubChem CID91841894
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one
SMILESCCN(Cc1noc(C2CCC2)n1)Cc1cc2ccccc2n(C)c1=O
InChIInChI=1S/C20H24N4O2/c1-3-24(13-18-21-19(26-22-18)14-8-6-9-14)12-16-11-15-7-4-5-10-17(15)23(2)20(16)25/h4-5,7,10-11,14H,3,6,8-9,12-13H2,1-2H3
InChIKeyJZUAVNHJVHGNFG-UHFFFAOYSA-N
XLogP3.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-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-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one (CID 91841894) is 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one is CCN(Cc1noc(C2CCC2)n1)Cc1cc2ccccc2n(C)c1=O.
What is the InChIKey of 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one?
The InChIKey is JZUAVNHJVHGNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-24(13-18-21-19(26-22-18)14-8-6-9-14)12-16-11-15-7-4-5-10-17(15)23(2)20(16)25/h4-5,7,10-11,14H,3,6,8-9,12-13H2,1-2H3.
What are the key properties of 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one?
3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one has a molecular weight of 352.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 91841894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).