2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide

C28H35F3N2O3 — CID 11364141

About 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide

2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 11364141) has the molecular formula C28H35F3N2O3 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 11364141
• Molecular Formula: C28H35F3N2O3
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.26
• IUPAC Name: 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide
• SMILES: CN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(=O)Nc4ccc(OC(F)(F)F)cc4)C3CCC12
• InChI: InChI=1S/C28H35F3N2O3/c1-26-14-12-22-20(9-11-23-27(22,2)15-13-25(35)33(23)3)21(26)10-4-17(26)16-24(34)32-18-5-7-19(8-6-18)36-28(29,30)31/h5-8,13,15,17,20-23H,4,9-12,14,16H2,1-3H3,(H,32,34)/t17-,20?,21?,22?,23?,26-,27-/m1/s1
• InChIKey: AQPCADLPPNNJKT-YRDFCNFRSA-N
• XLogP: 6.17
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide (CID 11364141) is 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide is CN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(=O)Nc4ccc(OC(F)(F)F)cc4)C3CCC12.

What is the InChIKey of 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is AQPCADLPPNNJKT-YRDFCNFRSA-N. The full InChI is InChI=1S/C28H35F3N2O3/c1-26-14-12-22-20(9-11-23-27(22,2)15-13-25(35)33(23)3)21(26)10-4-17(26)16-24(34)32-18-5-7-19(8-6-18)36-28(29,30)31/h5-8,13,15,17,20-23H,4,9-12,14,16H2,1-3H3,(H,32,34)/t17-,20?,21?,22?,23?,26-,27-/m1/s1.

What are the key properties of 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide?

2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 504.59 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,9aR,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-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 11364141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).