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

C15H15N3O2 — CID 647314

IUPAC7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESCCCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1
InChIInChI=1S/C15H15N3O2/c1-3-4-13-17-14(18-20-13)11-8-10-6-5-9(2)7-12(10)16-15(11)19/h5-8H,3-4H2,1-2H3,(H,16,19)
InChIKeyZQCNVMCGYKFOIC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.84
Rot. Bonds3

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

7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (PubChem CID 647314) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
PubChem CID647314
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESCCCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1
InChIInChI=1S/C15H15N3O2/c1-3-4-13-17-14(18-20-13)11-8-10-6-5-9(2)7-12(10)16-15(11)19/h5-8H,3-4H2,1-2H3,(H,16,19)
InChIKeyZQCNVMCGYKFOIC-UHFFFAOYSA-N
XLogP2.84
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (CID 647314) is 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is CCCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1.
What is the InChIKey of 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The InChIKey is ZQCNVMCGYKFOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-4-13-17-14(18-20-13)11-8-10-6-5-9(2)7-12(10)16-15(11)19/h5-8H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is sourced from PubChem (CID 647314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).