1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one

C97H109ClF5N19O12 — CID 158942666

About 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one

1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one (PubChem CID 158942666) has the molecular formula C97H109ClF5N19O12 and a molecular weight of 1863.50 g/mol. Its IUPAC name is 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one.

Molecular Properties

• Compound Name: 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
• PubChem CID: 158942666
• Molecular Formula: C97H109ClF5N19O12
• Molecular Weight: 1863.50 g/mol
• Exact Mass: 1861.81
• IUPAC Name: 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
• SMILES: CCc1cc(F)c(N)c(C(C)=O)c1.CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(C)n1.O=C=O
• InChI: InChI=1S/C25H32FN5O2.C22H25FN4O3.C20H21FN4O2.C15H13ClFN3O.C10H12FNO.C4H6N2O.CO2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19;1-4-15-11-16-13(2)18(21-24-14(3)26-30-21)20(25-19(16)17(23)12-15)27-7-5-22(6-8-27)28-9-10-29-22;1-4-13-9-15-11(2)17(20-22-12(3)24-27-20)19(23-18(15)16(21)10-13)25-7-5-14(26)6-8-25;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-3-7-4-8(6(2)13)10(12)9(11)5-7;1-3-5-4(2)7-6-3;2-1-3/h13-14,18-19,28H,4-12H2,1-3H3;11-12H,4-10H2,1-3H3;9-10H,4-8H2,1-3H3;5-6H,4H2,1-3H3;4-5H,3,12H2,1-2H3;1-2H3
• InChIKey: JKLDOPYIYJDFMV-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 389.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.50
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?

The IUPAC name of 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one (CID 158942666) is 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one.

What is the SMILES notation for 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?

The canonical SMILES for 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one is CCc1cc(F)c(N)c(C(C)=O)c1.CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(C)n1.O=C=O.

What is the InChIKey of 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?

The InChIKey is JKLDOPYIYJDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O2.C22H25FN4O3.C20H21FN4O2.C15H13ClFN3O.C10H12FNO.C4H6N2O.CO2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19;1-4-15-11-16-13(2)18(21-24-14(3)26-30-21)20(25-19(16)17(23)12-15)27-7-5-22(6-8-27)28-9-10-29-22;1-4-13-9-15-11(2)17(20-22-12(3)24-27-20)19(23-18(15)16(21)10-13)25-7-5-14(26)6-8-25;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-3-7-4-8(6(2)13)10(12)9(11)5-7;1-3-5-4(2)7-6-3;2-1-3/h13-14,18-19,28H,4-12H2,1-3H3;11-12H,4-10H2,1-3H3;9-10H,4-8H2,1-3H3;5-6H,4H2,1-3H3;4-5H,3,12H2,1-2H3;1-2H3;.

What are the key properties of 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?

1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one has a molecular weight of 1863.50 g/mol, XLogP of 18.59, 15 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-5-ethyl-3-fluorophenyl)ethanone;carbon dioxide;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;8-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one is sourced from PubChem (CID 158942666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).