4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one

C21H16N4O2 — CID 154844142

IUPAC4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)(c2nc(-c3nccc4ccccc34)no2)CN1
InChIInChI=1S/C21H16N4O2/c26-17-12-21(13-23-17,15-7-2-1-3-8-15)20-24-19(25-27-20)18-16-9-5-4-6-14(16)10-11-22-18/h1-11H,12-13H2,(H,23,26)
InChIKeyPWDPSTVFKHQXNF-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.09
Rot. Bonds3

About 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one

4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one (PubChem CID 154844142) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one
PubChem CID154844142
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)(c2nc(-c3nccc4ccccc34)no2)CN1
InChIInChI=1S/C21H16N4O2/c26-17-12-21(13-23-17,15-7-2-1-3-8-15)20-24-19(25-27-20)18-16-9-5-4-6-14(16)10-11-22-18/h1-11H,12-13H2,(H,23,26)
InChIKeyPWDPSTVFKHQXNF-UHFFFAOYSA-N
XLogP3.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one?
The IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one (CID 154844142) is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one is O=C1CC(c2ccccc2)(c2nc(-c3nccc4ccccc34)no2)CN1.
What is the InChIKey of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one?
The InChIKey is PWDPSTVFKHQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-17-12-21(13-23-17,15-7-2-1-3-8-15)20-24-19(25-27-20)18-16-9-5-4-6-14(16)10-11-22-18/h1-11H,12-13H2,(H,23,26).
What are the key properties of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one?
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one has a molecular weight of 356.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 154844142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).