5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane

C25H38FN5O2 — CID 176715508

About 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane

5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane (PubChem CID 176715508) has the molecular formula C25H38FN5O2 and a molecular weight of 459.61 g/mol. Its IUPAC name is 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane.

Molecular Properties

• Compound Name: 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane
• PubChem CID: 176715508
• Molecular Formula: C25H38FN5O2
• Molecular Weight: 459.61 g/mol
• Exact Mass: 459.30
• IUPAC Name: 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane
• SMILES: CCCOC.CCc1cc(F)c2nc(N3CCC(C)C3)c(-c3nc(C)no3)c(C)c2c1.CN
• InChI: InChI=1S/C20H23FN4O.C4H10O.CH5N/c1-5-14-8-15-12(3)17(20-22-13(4)24-26-20)19(23-18(15)16(21)9-14)25-7-6-11(2)10-25;1-3-4-5-2;1-2/h8-9,11H,5-7,10H2,1-4H3;3-4H2,1-2H3;2H2,1H3
• InChIKey: FUPJGXUMNWKZQU-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 90.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.61
LogP ≤ 5	5.07
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-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane?

The IUPAC name of 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane (CID 176715508) is 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane.

What is the SMILES notation for 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane?

The canonical SMILES for 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane is CCCOC.CCc1cc(F)c2nc(N3CCC(C)C3)c(-c3nc(C)no3)c(C)c2c1.CN.

What is the InChIKey of 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane?

The InChIKey is FUPJGXUMNWKZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O.C4H10O.CH5N/c1-5-14-8-15-12(3)17(20-22-13(4)24-26-20)19(23-18(15)16(21)9-14)25-7-6-11(2)10-25;1-3-4-5-2;1-2/h8-9,11H,5-7,10H2,1-4H3;3-4H2,1-2H3;2H2,1H3.

What are the key properties of 5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane?

5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane has a molecular weight of 459.61 g/mol, XLogP of 5.07, 5 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-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane is sourced from PubChem (CID 176715508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).