5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

C20H22N4O — CID 71928461

IUPAC5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCCC2c2noc(C3CC3)n2)c2ccccc2n1
InChIInChI=1S/C20H22N4O/c1-13-11-15(16-5-2-3-6-17(16)21-13)12-24-10-4-7-18(24)19-22-20(25-23-19)14-8-9-14/h2-3,5-6,11,14,18H,4,7-10,12H2,1H3
InChIKeyXFMXMXBKSOXTBY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.14
Rot. Bonds4

About 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 71928461) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID71928461
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCCC2c2noc(C3CC3)n2)c2ccccc2n1
InChIInChI=1S/C20H22N4O/c1-13-11-15(16-5-2-3-6-17(16)21-13)12-24-10-4-7-18(24)19-22-20(25-23-19)14-8-9-14/h2-3,5-6,11,14,18H,4,7-10,12H2,1H3
InChIKeyXFMXMXBKSOXTBY-UHFFFAOYSA-N
XLogP4.14
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 71928461) is 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1cc(CN2CCCC2c2noc(C3CC3)n2)c2ccccc2n1.
What is the InChIKey of 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is XFMXMXBKSOXTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-11-15(16-5-2-3-6-17(16)21-13)12-24-10-4-7-18(24)19-22-20(25-23-19)14-8-9-14/h2-3,5-6,11,14,18H,4,7-10,12H2,1H3.
What are the key properties of 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 71928461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).