(1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

C23H31F3N2O3 — CID 67688804

About (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

(1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (PubChem CID 67688804) has the molecular formula C23H31F3N2O3 and a molecular weight of 440.51 g/mol. Its IUPAC name is (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 67688804
• Molecular Formula: C23H31F3N2O3
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.23
• IUPAC Name: (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
• SMILES: CC(NC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C)C(=O)C(F)(F)F
• InChI: InChI=1S/C23H31F3N2O3/c1-12(19(30)23(24,25)26)27-20(31)16-6-5-14-13-4-7-17-22(3,11-9-18(29)28-17)15(13)8-10-21(14,16)2/h9,11-17H,4-8,10H2,1-3H3,(H,27,31)(H,28,29)/t12?,13-,14-,15-,16+,17-,21-,22-/m1/s1
• InChIKey: QNXAOMLOAUKAIA-GEJLBPIQSA-N
• XLogP: 3.54
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?

The IUPAC name of (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (CID 67688804) is (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide.

What is the SMILES notation for (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?

The canonical SMILES for (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide is CC(NC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C)C(=O)C(F)(F)F.

What is the InChIKey of (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?

The InChIKey is QNXAOMLOAUKAIA-GEJLBPIQSA-N. The full InChI is InChI=1S/C23H31F3N2O3/c1-12(19(30)23(24,25)26)27-20(31)16-6-5-14-13-4-7-17-22(3,11-9-18(29)28-17)15(13)8-10-21(14,16)2/h9,11-17H,4-8,10H2,1-3H3,(H,27,31)(H,28,29)/t12?,13-,14-,15-,16+,17-,21-,22-/m1/s1.

What are the key properties of (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?

(1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3aR,3bR,5aR,9aR,9bR,11aR)-9a,11a-dimethyl-7-oxo-N-(4,4,4-trifluoro-3-oxobutan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 67688804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).