8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H25F7N4O6S — CID 122652504

About 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 122652504) has the molecular formula C27H25F7N4O6S and a molecular weight of 666.57 g/mol. Its IUPAC name is 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 122652504
• Molecular Formula: C27H25F7N4O6S
• Molecular Weight: 666.57 g/mol
• Exact Mass: 666.14
• IUPAC Name: 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: O=C1NC(=O)C2(CCN(C(=O)CC3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC2)N1
• InChI: InChI=1S/C27H25F7N4O6S/c28-17-3-6-19(7-4-17)45(43,44)38-18(14-21(39)37-11-9-24(10-12-37)22(40)35-23(41)36-24)5-1-15-13-16(2-8-20(15)38)25(42,26(29,30)31)27(32,33)34/h2-4,6-8,13,18,42H,1,5,9-12,14H2,(H2,35,36,40,41)
• InChIKey: KNWUZYSNKFGSBP-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 136.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	666.57
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 122652504) is 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)CC3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC2)N1.

What is the InChIKey of 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is KNWUZYSNKFGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F7N4O6S/c28-17-3-6-19(7-4-17)45(43,44)38-18(14-21(39)37-11-9-24(10-12-37)22(40)35-23(41)36-24)5-1-15-13-16(2-8-20(15)38)25(42,26(29,30)31)27(32,33)34/h2-4,6-8,13,18,42H,1,5,9-12,14H2,(H2,35,36,40,41).

What are the key properties of 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 666.57 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 122652504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).