(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide

C54H68F6N4O4 — CID 157218680

About (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide

(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide (PubChem CID 157218680) has the molecular formula C54H68F6N4O4 and a molecular weight of 951.15 g/mol. Its IUPAC name is (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 157218680
• Molecular Formula: C54H68F6N4O4
• Molecular Weight: 951.15 g/mol
• Exact Mass: 950.51
• IUPAC Name: (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
• SMILES: Cc1ccc(C(F)(F)F)c(NC(=O)[C@H]2CCC3C4CC[C@H]5NC(=O)C=C[C@]5(C)C4CC[C@@]32C)c1.Cc1ccc(C(F)(F)F)c(NC(=O)[C@H]2CCC3C4CC[C@H]5NC(=O)CC[C@]5(C)C4CC[C@@]32C)c1
• InChI: InChI=1S/C27H35F3N2O2.C27H33F3N2O2/c2*1-15-4-6-19(27(28,29)30)21(14-15)31-24(34)20-8-7-17-16-5-9-22-26(3,13-11-23(33)32-22)18(16)10-12-25(17,20)2/h4,6,14,16-18,20,22H,5,7-13H2,1-3H3,(H,31,34)(H,32,33);4,6,11,13-14,16-18,20,22H,5,7-10,12H2,1-3H3,(H,31,34)(H,32,33)/t2*16?,17?,18?,20-,22-,25+,26-/m11/s1
• InChIKey: ASSJTAHNAKYMIJ-COGRLZKISA-N
• XLogP: 11.96
• TPSA: 116.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.15
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The IUPAC name of (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide (CID 157218680) is (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide.

What is the SMILES notation for (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The canonical SMILES for (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide is Cc1ccc(C(F)(F)F)c(NC(=O)[C@H]2CCC3C4CC[C@H]5NC(=O)C=C[C@]5(C)C4CC[C@@]32C)c1.Cc1ccc(C(F)(F)F)c(NC(=O)[C@H]2CCC3C4CC[C@H]5NC(=O)CC[C@]5(C)C4CC[C@@]32C)c1.

What is the InChIKey of (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The InChIKey is ASSJTAHNAKYMIJ-COGRLZKISA-N. The full InChI is InChI=1S/C27H35F3N2O2.C27H33F3N2O2/c2*1-15-4-6-19(27(28,29)30)21(14-15)31-24(34)20-8-7-17-16-5-9-22-26(3,13-11-23(33)32-22)18(16)10-12-25(17,20)2/h4,6,14,16-18,20,22H,5,7-13H2,1-3H3,(H,31,34)(H,32,33);4,6,11,13-14,16-18,20,22H,5,7-10,12H2,1-3H3,(H,31,34)(H,32,33)/t2*16?,17?,18?,20-,22-,25+,26-/m11/s1.

What are the key properties of (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 951.15 g/mol, XLogP of 11.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;(1S,5aR,9aR,11aS)-9a,11a-dimethyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 157218680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).