(3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

C26H38N2O2 — CID 57010953

About (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

(3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (PubChem CID 57010953) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 57010953
• Molecular Formula: C26H38N2O2
• Molecular Weight: 410.60 g/mol
• Exact Mass: 410.29
• IUPAC Name: (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
• SMILES: C[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)NC34CCC(CC3)C4)CC[C@@H]12
• InChI: InChI=1S/C26H38N2O2/c1-24-11-9-19-17(3-6-21-25(19,2)12-10-22(29)27-21)18(24)4-5-20(24)23(30)28-26-13-7-16(15-26)8-14-26/h10,12,16-21H,3-9,11,13-15H2,1-2H3,(H,27,29)(H,28,30)/t16?,17-,18-,19+,20?,21?,24-,25+,26?/m0/s1
• InChIKey: AYAOAEWBNDXPRK-FFPCJGIZSA-N
• XLogP: 4.35
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.60
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?

The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (CID 57010953) is (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-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 (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?

The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide is C[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)NC34CCC(CC3)C4)CC[C@@H]12.

What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?

The InChIKey is AYAOAEWBNDXPRK-FFPCJGIZSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-24-11-9-19-17(3-6-21-25(19,2)12-10-22(29)27-21)18(24)4-5-20(24)23(30)28-26-13-7-16(15-26)8-14-26/h10,12,16-21H,3-9,11,13-15H2,1-2H3,(H,27,29)(H,28,30)/t16?,17-,18-,19+,20?,21?,24-,25+,26?/m0/s1.

What are the key properties of (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?

(3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 410.60 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 57010953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).