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

C59H43BrCl4F6N12O5 — CID 164967939

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

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 (PubChem CID 164967939) has the molecular formula C59H43BrCl4F6N12O5 and a molecular weight of 1335.78 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.

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
• PubChem CID: 164967939
• Molecular Formula: C59H43BrCl4F6N12O5
• Molecular Weight: 1335.78 g/mol
• Exact Mass: 1332.13
• 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
• 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
• InChI: InChI=1S/C16H13ClFN3O.C15H11ClF3N3O.C15H11ClFN3O2.C13H8BrClFN3O/c1-7(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/h5-6H,1H2,2-4H3;4-5H,1-3H3;4-5H,1-3H3;3-4H,1-2H3
• InChIKey: CSNFDNUSVWIXPV-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 224.31 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1335.78
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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?

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 (CID 164967939) 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.

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?

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 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.

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?

The InChIKey is CSNFDNUSVWIXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O.C15H11ClF3N3O.C15H11ClFN3O2.C13H8BrClFN3O/c1-7(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/h5-6H,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?

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 has a molecular weight of 1335.78 g/mol, XLogP of 17.89, 7 rotatable bonds, 0 hydrogen bond donors, and 17 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 is sourced from PubChem (CID 164967939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).