5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine

C27H36FN5O2 — CID 176715531

About 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine

5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine (PubChem CID 176715531) has the molecular formula C27H36FN5O2 and a molecular weight of 481.62 g/mol. Its IUPAC name is 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine.

Molecular Properties

• Compound Name: 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine
• PubChem CID: 176715531
• Molecular Formula: C27H36FN5O2
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.29
• IUPAC Name: 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine
• SMILES: CCc1cc(F)c2nc(N3CCCC3)c(-c3nc(C)no3)c(C)c2c1.NC1CC2(CCOCC2)C1
• InChI: InChI=1S/C19H21FN4O.C8H15NO/c1-4-13-9-14-11(2)16(19-21-12(3)23-25-19)18(24-7-5-6-8-24)22-17(14)15(20)10-13;9-7-5-8(6-7)1-3-10-4-2-8/h9-10H,4-8H2,1-3H3;7H,1-6,9H2
• InChIKey: GHEFIPLGCZILLR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 90.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine?

The IUPAC name of 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine (CID 176715531) is 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine.

What is the SMILES notation for 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine?

The canonical SMILES for 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine is CCc1cc(F)c2nc(N3CCCC3)c(-c3nc(C)no3)c(C)c2c1.NC1CC2(CCOCC2)C1.

What is the InChIKey of 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine?

The InChIKey is GHEFIPLGCZILLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O.C8H15NO/c1-4-13-9-14-11(2)16(19-21-12(3)23-25-19)18(24-7-5-6-8-24)22-17(14)15(20)10-13;9-7-5-8(6-7)1-3-10-4-2-8/h9-10H,4-8H2,1-3H3;7H,1-6,9H2.

What are the key properties of 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine?

5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine has a molecular weight of 481.62 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 176715531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).