6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide

C22H20BrFN4O3 — CID 166508314

About 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide

6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide (PubChem CID 166508314) has the molecular formula C22H20BrFN4O3 and a molecular weight of 487.33 g/mol. Its IUPAC name is 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide
• PubChem CID: 166508314
• Molecular Formula: C22H20BrFN4O3
• Molecular Weight: 487.33 g/mol
• Exact Mass: 486.07
• IUPAC Name: 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide
• SMILES: O=C(NC12CC(c3nnc(C4CC(OCF)C4)o3)(C1)C2)c1ccc2cc(Br)ccc2n1
• InChI: InChI=1S/C22H20BrFN4O3/c23-14-2-4-16-12(5-14)1-3-17(25-16)18(29)26-22-8-21(9-22,10-22)20-28-27-19(31-20)13-6-15(7-13)30-11-24/h1-5,13,15H,6-11H2,(H,26,29)
• InChIKey: QAYDMZHGLXZDQZ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.33
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide?

The IUPAC name of 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide (CID 166508314) is 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide.

What is the SMILES notation for 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide?

The canonical SMILES for 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide is O=C(NC12CC(c3nnc(C4CC(OCF)C4)o3)(C1)C2)c1ccc2cc(Br)ccc2n1.

What is the InChIKey of 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide?

The InChIKey is QAYDMZHGLXZDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN4O3/c23-14-2-4-16-12(5-14)1-3-17(25-16)18(29)26-22-8-21(9-22,10-22)20-28-27-19(31-20)13-6-15(7-13)30-11-24/h1-5,13,15H,6-11H2,(H,26,29).

What are the key properties of 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide?

6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide has a molecular weight of 487.33 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[3-[5-[3-(fluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-2-carboxamide is sourced from PubChem (CID 166508314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).