(3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione

C24H37NO3Si — CID 67671329

About (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione

(3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione (PubChem CID 67671329) has the molecular formula C24H37NO3Si and a molecular weight of 415.65 g/mol. Its IUPAC name is (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione.

Molecular Properties

• Compound Name: (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
• PubChem CID: 67671329
• Molecular Formula: C24H37NO3Si
• Molecular Weight: 415.65 g/mol
• Exact Mass: 415.25
• IUPAC Name: (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
• SMILES: CCCC[Si](C)(C)OC1=C2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)NC2=C1
• InChI: InChI=1S/C24H37NO3Si/c1-6-7-14-29(4,5)28-18-15-19-23(2,13-11-21(27)25-19)17-10-12-24(3)16(22(17)18)8-9-20(24)26/h15-17H,6-14H2,1-5H3,(H,25,27)/t16-,17-,23+,24-/m0/s1
• InChIKey: MWRLFPOWWVFICW-FFLGGZPMSA-N
• XLogP: 5.47
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.65
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione?

The IUPAC name of (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione (CID 67671329) is (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione.

What is the SMILES notation for (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione?

The canonical SMILES for (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione is CCCC[Si](C)(C)OC1=C2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)NC2=C1.

What is the InChIKey of (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione?

The InChIKey is MWRLFPOWWVFICW-FFLGGZPMSA-N. The full InChI is InChI=1S/C24H37NO3Si/c1-6-7-14-29(4,5)28-18-15-19-23(2,13-11-21(27)25-19)17-10-12-24(3)16(22(17)18)8-9-20(24)26/h15-17H,6-14H2,1-5H3,(H,25,27)/t16-,17-,23+,24-/m0/s1.

What are the key properties of (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione?

(3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione has a molecular weight of 415.65 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione is sourced from PubChem (CID 67671329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).