5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one

C32H49FN2O5Si2 — CID 140808542

About 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one

5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 140808542) has the molecular formula C32H49FN2O5Si2 and a molecular weight of 616.92 g/mol. Its IUPAC name is 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 140808542
• Molecular Formula: C32H49FN2O5Si2
• Molecular Weight: 616.92 g/mol
• Exact Mass: 616.32
• IUPAC Name: 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
• SMILES: COc1ccc(CN2C(=O)CCc3c(OC[C@]4(O[Si](C)(C)C)CCNC[C@H]4O[Si](C)(C)C(C)(C)C)ccc(F)c32)cc1
• InChI: InChI=1S/C32H49FN2O5Si2/c1-31(2,3)42(8,9)39-28-20-34-19-18-32(28,40-41(5,6)7)22-38-27-16-15-26(33)30-25(27)14-17-29(36)35(30)21-23-10-12-24(37-4)13-11-23/h10-13,15-16,28,34H,14,17-22H2,1-9H3/t28-,32-/m1/s1
• InChIKey: WWUPAUJBRRBPPC-AKGWNBJDSA-N
• XLogP: 6.67
• TPSA: 69.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.92
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one (CID 140808542) is 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one is COc1ccc(CN2C(=O)CCc3c(OC[C@]4(O[Si](C)(C)C)CCNC[C@H]4O[Si](C)(C)C(C)(C)C)ccc(F)c32)cc1.

What is the InChIKey of 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one?

The InChIKey is WWUPAUJBRRBPPC-AKGWNBJDSA-N. The full InChI is InChI=1S/C32H49FN2O5Si2/c1-31(2,3)42(8,9)39-28-20-34-19-18-32(28,40-41(5,6)7)22-38-27-16-15-26(33)30-25(27)14-17-29(36)35(30)21-23-10-12-24(37-4)13-11-23/h10-13,15-16,28,34H,14,17-22H2,1-9H3/t28-,32-/m1/s1.

What are the key properties of 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one?

5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 616.92 g/mol, XLogP of 6.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 140808542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).