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

C24H32FN5O2 — CID 142432306

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

1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine (PubChem CID 142432306) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine
• PubChem CID: 142432306
• Molecular Formula: C24H32FN5O2
• Molecular Weight: 441.55 g/mol
• Exact Mass: 441.25
• IUPAC Name: 1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine
• SMILES: CC[C@@H](COC)NC1CCN(c2nc3c(F)cc(C)cc3c(C)c2-c2nc(C)no2)CC1
• InChI: InChI=1S/C24H32FN5O2/c1-6-17(13-31-5)27-18-7-9-30(10-8-18)23-21(24-26-16(4)29-32-24)15(3)19-11-14(2)12-20(25)22(19)28-23/h11-12,17-18,27H,6-10,13H2,1-5H3/t17-/m0/s1
• InChIKey: KMNHHANKJFNYSX-KRWDZBQOSA-N
• XLogP: 4.33
• TPSA: 76.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.55
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine (CID 142432306) is 1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine.

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

The canonical SMILES for 1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine is CC[C@@H](COC)NC1CCN(c2nc3c(F)cc(C)cc3c(C)c2-c2nc(C)no2)CC1.

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

The InChIKey is KMNHHANKJFNYSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-6-17(13-31-5)27-18-7-9-30(10-8-18)23-21(24-26-16(4)29-32-24)15(3)19-11-14(2)12-20(25)22(19)28-23/h11-12,17-18,27H,6-10,13H2,1-5H3/t17-/m0/s1.

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

1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine has a molecular weight of 441.55 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine is sourced from PubChem (CID 142432306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).