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

C19H20N4O2 — CID 139000989

IUPAC4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2nc(-c3nccc4ccccc34)no2)CC1=O
InChIInChI=1S/C19H20N4O2/c1-12(2)10-23-11-14(9-16(23)24)19-21-18(22-25-19)17-15-6-4-3-5-13(15)7-8-20-17/h3-8,12,14H,9-11H2,1-2H3
InChIKeyYURSADUQPUTWQX-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.26
Rot. Bonds4

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

4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 139000989) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID139000989
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2nc(-c3nccc4ccccc34)no2)CC1=O
InChIInChI=1S/C19H20N4O2/c1-12(2)10-23-11-14(9-16(23)24)19-21-18(22-25-19)17-15-6-4-3-5-13(15)7-8-20-17/h3-8,12,14H,9-11H2,1-2H3
InChIKeyYURSADUQPUTWQX-UHFFFAOYSA-N
XLogP3.26
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
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)-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one (CID 139000989) is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CC(c2nc(-c3nccc4ccccc34)no2)CC1=O.
What is the InChIKey of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is YURSADUQPUTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)10-23-11-14(9-16(23)24)19-21-18(22-25-19)17-15-6-4-3-5-13(15)7-8-20-17/h3-8,12,14H,9-11H2,1-2H3.
What are the key properties of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one?
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 336.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 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)-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 139000989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).