5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one

C101H85BrCl4F12N20O10 — CID 159926972

About 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one

5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one (PubChem CID 159926972) has the molecular formula C101H85BrCl4F12N20O10 and a molecular weight of 2188.61 g/mol. Its IUPAC name is 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one.

Molecular Properties

• Compound Name: 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
• PubChem CID: 159926972
• Molecular Formula: C101H85BrCl4F12N20O10
• Molecular Weight: 2188.61 g/mol
• Exact Mass: 2184.45
• IUPAC Name: 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
• SMILES: C=C(C)c1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CC(=O)c1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(Cl)nc3c(F)cc(Br)cc3c2C)n1.Cc1noc(-c2c(Cl)nc3c(F)cc(C(C)(F)F)cc3c2C)n1.Cc1noc(-c2c(N3CCC(=O)CC3)nc3c(F)cc(C(C)(F)F)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(C(C)(F)F)cc3c2C)n1
• InChI: InChI=1S/C22H23F3N4O3.C20H19F3N4O2.C16H13ClFN3O.C15H11ClF3N3O.C15H11ClFN3O2.C13H8BrClFN3O/c1-12-15-10-14(21(3,24)25)11-16(23)18(15)27-19(17(12)20-26-13(2)28-32-20)29-6-4-22(5-7-29)30-8-9-31-22;1-10-14-8-12(20(3,22)23)9-15(21)17(14)25-18(27-6-4-13(28)5-7-27)16(10)19-24-11(2)26-29-19;1-7(2)10-5-11-8(3)13(16-19-9(4)21-22-16)15(17)20-14(11)12(18)6-10;1-6-9-4-8(15(3,18)19)5-10(17)12(9)21-13(16)11(6)14-20-7(2)22-23-14;1-6-10-4-9(7(2)21)5-11(17)13(10)19-14(16)12(6)15-18-8(3)20-22-15;1-5-8-3-7(14)4-9(16)11(8)18-12(15)10(5)13-17-6(2)19-20-13/h10-11H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3;5-6H,1H2,2-4H3;4-5H,1-3H3;4-5H,1-3H3;3-4H,1-2H3
• InChIKey: NZDIILFXRYVING-UHFFFAOYSA-N
• XLogP: 26.70
• TPSA: 369.94 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2188.61
LogP ≤ 5	26.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?

The IUPAC name of 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one (CID 159926972) is 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-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 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?

The canonical SMILES for 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one is C=C(C)c1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CC(=O)c1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(Cl)nc3c(F)cc(Br)cc3c2C)n1.Cc1noc(-c2c(Cl)nc3c(F)cc(C(C)(F)F)cc3c2C)n1.Cc1noc(-c2c(N3CCC(=O)CC3)nc3c(F)cc(C(C)(F)F)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(C(C)(F)F)cc3c2C)n1.

What is the InChIKey of 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?

The InChIKey is NZDIILFXRYVING-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3.C20H19F3N4O2.C16H13ClFN3O.C15H11ClF3N3O.C15H11ClFN3O2.C13H8BrClFN3O/c1-12-15-10-14(21(3,24)25)11-16(23)18(15)27-19(17(12)20-26-13(2)28-32-20)29-6-4-22(5-7-29)30-8-9-31-22;1-10-14-8-12(20(3,22)23)9-15(21)17(14)25-18(27-6-4-13(28)5-7-27)16(10)19-24-11(2)26-29-19;1-7(2)10-5-11-8(3)13(16-19-9(4)21-22-16)15(17)20-14(11)12(18)6-10;1-6-9-4-8(15(3,18)19)5-10(17)12(9)21-13(16)11(6)14-20-7(2)22-23-14;1-6-10-4-9(7(2)21)5-11(17)13(10)19-14(16)12(6)15-18-8(3)20-22-15;1-5-8-3-7(14)4-9(16)11(8)18-12(15)10(5)13-17-6(2)19-20-13/h10-11H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3;5-6H,1H2,2-4H3;4-5H,1-3H3;4-5H,1-3H3;3-4H,1-2H3.

What are the key properties of 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?

5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one has a molecular weight of 2188.61 g/mol, XLogP of 26.70, 13 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-bromo-2-chloro-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-[2-chloro-6-(1,1-difluoroethyl)-8-fluoro-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;5-(2-chloro-8-fluoro-4-methyl-6-prop-1-en-2-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[6-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one is sourced from PubChem (CID 159926972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).