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

C16H17N3O2 — CID 655150

IUPAC3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(-c3noc(C(C)(C)C)n3)c(=O)[nH]c2c1
InChIInChI=1S/C16H17N3O2/c1-9-5-6-10-8-11(14(20)17-12(10)7-9)13-18-15(21-19-13)16(2,3)4/h5-8H,1-4H3,(H,17,20)
InChIKeyHYQVRKGPKNLMCR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.18
Rot. Bonds1

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

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one (PubChem CID 655150) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
PubChem CID655150
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(-c3noc(C(C)(C)C)n3)c(=O)[nH]c2c1
InChIInChI=1S/C16H17N3O2/c1-9-5-6-10-8-11(14(20)17-12(10)7-9)13-18-15(21-19-13)16(2,3)4/h5-8H,1-4H3,(H,17,20)
InChIKeyHYQVRKGPKNLMCR-UHFFFAOYSA-N
XLogP3.18
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one (CID 655150) is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(-c3noc(C(C)(C)C)n3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
The InChIKey is HYQVRKGPKNLMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-5-6-10-8-11(14(20)17-12(10)7-9)13-18-15(21-19-13)16(2,3)4/h5-8H,1-4H3,(H,17,20).
What are the key properties of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one?
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 655150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).