(1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

C28H33F5N2O2 — CID 69054244

About (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

(1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 69054244) has the molecular formula C28H33F5N2O2 and a molecular weight of 524.57 g/mol. Its IUPAC name is (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 69054244
• Molecular Formula: C28H33F5N2O2
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.25
• IUPAC Name: (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• SMILES: CC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Nc4cc(F)c(C(F)(F)F)cc4F)CC[C@H]3[C@@H]2C1
• InChI: InChI=1S/C28H33F5N2O2/c1-14-11-15-16-5-6-18(25(37)34-22-13-20(29)19(12-21(22)30)28(31,32)33)26(16,2)9-7-17(15)27(3)10-8-23(36)35(4)24(14)27/h12-13,15-18H,5-11H2,1-4H3,(H,34,37)/t15-,16-,17-,18+,26-,27+/m0/s1
• InChIKey: FJCJQQNAZGSYPJ-GWQZWZPKSA-N
• XLogP: 6.92
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The IUPAC name of (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 69054244) is (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

What is the SMILES notation for (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The canonical SMILES for (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is CC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Nc4cc(F)c(C(F)(F)F)cc4F)CC[C@H]3[C@@H]2C1.

What is the InChIKey of (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The InChIKey is FJCJQQNAZGSYPJ-GWQZWZPKSA-N. The full InChI is InChI=1S/C28H33F5N2O2/c1-14-11-15-16-5-6-18(25(37)34-22-13-20(29)19(12-21(22)30)28(31,32)33)26(16,2)9-7-17(15)27(3)10-8-23(36)35(4)24(14)27/h12-13,15-18H,5-11H2,1-4H3,(H,34,37)/t15-,16-,17-,18+,26-,27+/m0/s1.

What are the key properties of (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

(1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 524.57 g/mol, XLogP of 6.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 69054244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).