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

C12H9N3O2 — CID 53337853

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one
SMILESCc1noc(-c2cc(=O)[nH]c3ccccc23)n1
InChIInChI=1S/C12H9N3O2/c1-7-13-12(17-15-7)9-6-11(16)14-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,14,16)
InChIKeyKYULJOOKCPBUDA-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.89
Rot. Bonds1

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

4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one (PubChem CID 53337853) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one
PubChem CID53337853
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one
SMILESCc1noc(-c2cc(=O)[nH]c3ccccc23)n1
InChIInChI=1S/C12H9N3O2/c1-7-13-12(17-15-7)9-6-11(16)14-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,14,16)
InChIKeyKYULJOOKCPBUDA-UHFFFAOYSA-N
XLogP1.89
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methyl-1,2,4-oxadiazol-5-yl)-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 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one (CID 53337853) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one is Cc1noc(-c2cc(=O)[nH]c3ccccc23)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one?
The InChIKey is KYULJOOKCPBUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-7-13-12(17-15-7)9-6-11(16)14-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,14,16).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 53337853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).