2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide

C28H43N3O2 — CID 11775375

About 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide

2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide (PubChem CID 11775375) has the molecular formula C28H43N3O2 and a molecular weight of 453.67 g/mol. Its IUPAC name is 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide
• PubChem CID: 11775375
• Molecular Formula: C28H43N3O2
• Molecular Weight: 453.67 g/mol
• Exact Mass: 453.34
• IUPAC Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide
• SMILES: CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)NC5CC6CCN5CC6)CC[C@H]4[C@@H]3CC[C@@H]12
• InChI: InChI=1S/C28H43N3O2/c1-27-12-8-22-20(5-7-23-28(22,2)13-9-26(33)30(23)3)21(27)6-4-19(27)17-25(32)29-24-16-18-10-14-31(24)15-11-18/h9,13,18-24H,4-8,10-12,14-17H2,1-3H3,(H,29,32)/t19-,20+,21+,22+,23-,24?,27-,28-/m1/s1
• InChIKey: PCCGJXHESRCOSG-QUWKOJCRSA-N
• XLogP: 4.19
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.67
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide?

The IUPAC name of 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide (CID 11775375) is 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide.

What is the SMILES notation for 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide?

The canonical SMILES for 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide is CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)NC5CC6CCN5CC6)CC[C@H]4[C@@H]3CC[C@@H]12.

What is the InChIKey of 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide?

The InChIKey is PCCGJXHESRCOSG-QUWKOJCRSA-N. The full InChI is InChI=1S/C28H43N3O2/c1-27-12-8-22-20(5-7-23-28(22,2)13-9-26(33)30(23)3)21(27)6-4-19(27)17-25(32)29-24-16-18-10-14-31(24)15-11-18/h9,13,18-24H,4-8,10-12,14-17H2,1-3H3,(H,29,32)/t19-,20+,21+,22+,23-,24?,27-,28-/m1/s1.

What are the key properties of 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide?

2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide has a molecular weight of 453.67 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide is sourced from PubChem (CID 11775375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).