N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide

C30H42F2N4O3Si — CID 155573826

About N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide

N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 155573826) has the molecular formula C30H42F2N4O3Si and a molecular weight of 572.77 g/mol. Its IUPAC name is N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
• PubChem CID: 155573826
• Molecular Formula: C30H42F2N4O3Si
• Molecular Weight: 572.77 g/mol
• Exact Mass: 572.30
• IUPAC Name: N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
• SMILES: CN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)c(NCCO[Si](C)(C)C(C)(C)C)c1)CC2
• InChI: InChI=1S/C30H42F2N4O3Si/c1-29(2,3)40(5,6)39-16-13-33-25-17-21(7-9-24(25)32)20-34-28(38)36-14-11-30(12-15-36)19-27(37)23-18-22(31)8-10-26(23)35(30)4/h7-10,17-18,33H,11-16,19-20H2,1-6H3,(H,34,38)
• InChIKey: OPIZKRTVAKSHST-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.77
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?

The IUPAC name of N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide (CID 155573826) is N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?

The canonical SMILES for N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide is CN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)c(NCCO[Si](C)(C)C(C)(C)C)c1)CC2.

What is the InChIKey of N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?

The InChIKey is OPIZKRTVAKSHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42F2N4O3Si/c1-29(2,3)40(5,6)39-16-13-33-25-17-21(7-9-24(25)32)20-34-28(38)36-14-11-30(12-15-36)19-27(37)23-18-22(31)8-10-26(23)35(30)4/h7-10,17-18,33H,11-16,19-20H2,1-6H3,(H,34,38).

What are the key properties of N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?

N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 572.77 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155573826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).