1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

C25H31F2N5O2 — CID 137434559

About 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 137434559) has the molecular formula C25H31F2N5O2 and a molecular weight of 471.55 g/mol. Its IUPAC name is 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
• PubChem CID: 137434559
• Molecular Formula: C25H31F2N5O2
• Molecular Weight: 471.55 g/mol
• Exact Mass: 471.24
• IUPAC Name: 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
• SMILES: Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(C(C)F)cc3c2C)n1
• InChI: InChI=1S/C25H31F2N5O2/c1-14-20-12-17(15(2)26)13-21(27)23(20)30-24(22(14)25-28-16(3)31-34-25)32-8-4-18(5-9-32)29-19-6-10-33-11-7-19/h12-13,15,18-19,29H,4-11H2,1-3H3
• InChIKey: FLVUUVSKHFHVDL-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 76.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.55
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?

The IUPAC name of 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 137434559) is 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

What is the SMILES notation for 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?

The canonical SMILES for 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(C(C)F)cc3c2C)n1.

What is the InChIKey of 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?

The InChIKey is FLVUUVSKHFHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N5O2/c1-14-20-12-17(15(2)26)13-21(27)23(20)30-24(22(14)25-28-16(3)31-34-25)32-8-4-18(5-9-32)29-19-6-10-33-11-7-19/h12-13,15,18-19,29H,4-11H2,1-3H3.

What are the key properties of 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?

1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 471.55 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 137434559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).