[(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium

C28H37N2O6Si+ — CID 163511351

About [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium

[(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium (PubChem CID 163511351) has the molecular formula C28H37N2O6Si+ and a molecular weight of 525.70 g/mol. Its IUPAC name is [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium.

Molecular Properties

• Compound Name: [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium
• PubChem CID: 163511351
• Molecular Formula: C28H37N2O6Si+
• Molecular Weight: 525.70 g/mol
• Exact Mass: 525.24
• IUPAC Name: [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium
• SMILES: C=C(O)c1ccc(CCN(C[C@H](O[SiH2+](C)C)c2ccc(O)c3[nH]c(=O)ccc23)C(=O)OC(C)(C)C)cc1
• InChI: InChI=1S/C28H37N2O6Si/c1-18(31)20-9-7-19(8-10-20)15-16-30(27(34)35-28(2,3)4)17-24(36-37(5)6)21-11-13-23(32)26-22(21)12-14-25(33)29-26/h7-14,24,31-32H,1,15-17,37H2,2-6H3,(H,29,33)/q+1/t24-/m0/s1
• InChIKey: GAIYUEFIIXBWLN-DEOSSOPVSA-N
• XLogP: 5.02
• TPSA: 112.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.70
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium?

The IUPAC name of [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium (CID 163511351) is [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium.

What is the SMILES notation for [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium?

The canonical SMILES for [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium is C=C(O)c1ccc(CCN(C[C@H](O[SiH2+](C)C)c2ccc(O)c3[nH]c(=O)ccc23)C(=O)OC(C)(C)C)cc1.

What is the InChIKey of [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium?

The InChIKey is GAIYUEFIIXBWLN-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H37N2O6Si/c1-18(31)20-9-7-19(8-10-20)15-16-30(27(34)35-28(2,3)4)17-24(36-37(5)6)21-11-13-23(32)26-22(21)12-14-25(33)29-26/h7-14,24,31-32H,1,15-17,37H2,2-6H3,(H,29,33)/q+1/t24-/m0/s1.

What are the key properties of [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium?

[(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium has a molecular weight of 525.70 g/mol, XLogP of 5.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2-[2-[4-(1-hydroxyethenyl)phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethoxy]-dimethylsilanylium is sourced from PubChem (CID 163511351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).