bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine

C104H138Cl2F4N20O8 — CID 161444172

About bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine

bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 161444172) has the molecular formula C104H138Cl2F4N20O8 and a molecular weight of 1943.28 g/mol. Its IUPAC name is bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine
• PubChem CID: 161444172
• Molecular Formula: C104H138Cl2F4N20O8
• Molecular Weight: 1943.28 g/mol
• Exact Mass: 1941.03
• IUPAC Name: bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine
• SMILES: CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)C[C@@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.C[C@@H]1C[C@@H](NC2CCOCC2)CCN1.C[C@H]1C[C@@H](NC2CCOCC2)CCN1
• InChI: InChI=1S/2C26H34FN5O2.2C15H13ClFN3O.2C11H22N2O/c2*1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19;2*1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;2*1-9-8-11(2-5-12-9)13-10-3-6-14-7-4-10/h2*13-15,19-20,29H,5-12H2,1-4H3;2*5-6H,4H2,1-3H3;2*9-13H,2-8H2,1H3/t15-,20+;15-,20-;;;9-,11+;9-,11-/m10..10/s1
• InChIKey: VZRDNPKHTUEYOK-NLIWQPMZSA-N
• XLogP: 19.76
• TPSA: 322.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.28
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine?

The IUPAC name of bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine (CID 161444172) is bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine.

What is the SMILES notation for bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine?

The canonical SMILES for bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine is CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)C[C@@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.C[C@@H]1C[C@@H](NC2CCOCC2)CCN1.C[C@H]1C[C@@H](NC2CCOCC2)CCN1.

What is the InChIKey of bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine?

The InChIKey is VZRDNPKHTUEYOK-NLIWQPMZSA-N. The full InChI is InChI=1S/2C26H34FN5O2.2C15H13ClFN3O.2C11H22N2O/c2*1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19;2*1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;2*1-9-8-11(2-5-12-9)13-10-3-6-14-7-4-10/h2*13-15,19-20,29H,5-12H2,1-4H3;2*5-6H,4H2,1-3H3;2*9-13H,2-8H2,1H3/t15-,20+;15-,20-;;;9-,11+;9-,11-/m10..10/s1.

What are the key properties of bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine?

bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 1943.28 g/mol, XLogP of 19.76, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole);(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2S,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine;(2R,4S)-2-methyl-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 161444172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).