6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one

C16H17N3O2 — CID 942493

IUPAC6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3noc(CC(C)C)n3)cc2c1
InChIInChI=1S/C16H17N3O2/c1-9(2)6-14-18-15(19-21-14)12-8-11-7-10(3)4-5-13(11)17-16(12)20/h4-5,7-9H,6H2,1-3H3,(H,17,20)
InChIKeyRBZIIYHVMALRIV-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.09
Rot. Bonds3

About 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one

6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one (PubChem CID 942493) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
PubChem CID942493
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3noc(CC(C)C)n3)cc2c1
InChIInChI=1S/C16H17N3O2/c1-9(2)6-14-18-15(19-21-14)12-8-11-7-10(3)4-5-13(11)17-16(12)20/h4-5,7-9H,6H2,1-3H3,(H,17,20)
InChIKeyRBZIIYHVMALRIV-UHFFFAOYSA-N
XLogP3.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one (CID 942493) is 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(-c3noc(CC(C)C)n3)cc2c1.
What is the InChIKey of 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The InChIKey is RBZIIYHVMALRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9(2)6-14-18-15(19-21-14)12-8-11-7-10(3)4-5-13(11)17-16(12)20/h4-5,7-9H,6H2,1-3H3,(H,17,20).
What are the key properties of 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one is sourced from PubChem (CID 942493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).