N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide

C23H23F3N4O3 — CID 165008435

About N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide

N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 165008435) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide
• PubChem CID: 165008435
• Molecular Formula: C23H23F3N4O3
• Molecular Weight: 460.46 g/mol
• Exact Mass: 460.17
• IUPAC Name: N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide
• SMILES: CCCOc1nnc(C2CC3(CC(NC(=O)c4ccc5cc(C(F)(F)F)ccc5n4)C3)C2)o1
• InChI: InChI=1S/C23H23F3N4O3/c1-2-7-32-21-30-29-20(33-21)14-9-22(10-14)11-16(12-22)27-19(31)18-5-3-13-8-15(23(24,25)26)4-6-17(13)28-18/h3-6,8,14,16H,2,7,9-12H2,1H3,(H,27,31)
• InChIKey: BNCAOZXAPAFUTB-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.46
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide?

The IUPAC name of N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide (CID 165008435) is N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide.

What is the SMILES notation for N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide?

The canonical SMILES for N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide is CCCOc1nnc(C2CC3(CC(NC(=O)c4ccc5cc(C(F)(F)F)ccc5n4)C3)C2)o1.

What is the InChIKey of N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide?

The InChIKey is BNCAOZXAPAFUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-2-7-32-21-30-29-20(33-21)14-9-22(10-14)11-16(12-22)27-19(31)18-5-3-13-8-15(23(24,25)26)4-6-17(13)28-18/h3-6,8,14,16H,2,7,9-12H2,1H3,(H,27,31).

What are the key properties of N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide?

N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 165008435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).