6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H24F3N3O4 — CID 55671478

About 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55671478) has the molecular formula C21H24F3N3O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 55671478
• Molecular Formula: C21H24F3N3O4
• Molecular Weight: 439.43 g/mol
• Exact Mass: 439.17
• IUPAC Name: 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: CC1CCCCC12NC(=O)N(CC(=O)N1CCCc3cc(OC(F)(F)F)ccc31)C2=O
• InChI: InChI=1S/C21H24F3N3O4/c1-13-5-2-3-9-20(13)18(29)27(19(30)25-20)12-17(28)26-10-4-6-14-11-15(7-8-16(14)26)31-21(22,23)24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,25,30)
• InChIKey: LKZWCNHNOJWKJW-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.43
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55671478) is 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCCC12NC(=O)N(CC(=O)N1CCCc3cc(OC(F)(F)F)ccc31)C2=O.

What is the InChIKey of 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is LKZWCNHNOJWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4/c1-13-5-2-3-9-20(13)18(29)27(19(30)25-20)12-17(28)26-10-4-6-14-11-15(7-8-16(14)26)31-21(22,23)24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,25,30).

What are the key properties of 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 439.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55671478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).