4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one

C19H15N3O2 — CID 166201066

IUPAC4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(-c2nc(Cc3ccccc3)no2)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-22-16-10-6-5-9-14(16)15(12-18(22)23)19-20-17(21-24-19)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyGSSDNRBRTKKUSE-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.18
Rot. Bonds3

About 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one

4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one (PubChem CID 166201066) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one
PubChem CID166201066
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(-c2nc(Cc3ccccc3)no2)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-22-16-10-6-5-9-14(16)15(12-18(22)23)19-20-17(21-24-19)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyGSSDNRBRTKKUSE-UHFFFAOYSA-N
XLogP3.18
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one?
The IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one (CID 166201066) is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one is Cn1c(=O)cc(-c2nc(Cc3ccccc3)no2)c2ccccc21.
What is the InChIKey of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one?
The InChIKey is GSSDNRBRTKKUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-22-16-10-6-5-9-14(16)15(12-18(22)23)19-20-17(21-24-19)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one?
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one has a molecular weight of 317.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one is sourced from PubChem (CID 166201066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).