(3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

C26H38N2O2 — CID 67742248

About (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

(3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one (PubChem CID 67742248) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

• Compound Name: (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
• PubChem CID: 67742248
• Molecular Formula: C26H38N2O2
• Molecular Weight: 410.60 g/mol
• Exact Mass: 410.29
• IUPAC Name: (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
• SMILES: CC1CCCC(C)N1C(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
• InChI: InChI=1S/C26H38N2O2/c1-16-6-5-7-17(2)28(16)24(30)21-10-9-19-18-8-11-22-26(4,15-13-23(29)27-22)20(18)12-14-25(19,21)3/h10,13,15-20,22H,5-9,11-12,14H2,1-4H3,(H,27,29)/t16?,17?,18-,19-,20-,22+,25-,26+/m0/s1
• InChIKey: MNJDDIWYAZQZCN-VRRIRWCOSA-N
• XLogP: 4.61
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.60
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?

The IUPAC name of (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one (CID 67742248) is (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one.

What is the SMILES notation for (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?

The canonical SMILES for (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one is CC1CCCC(C)N1C(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C.

What is the InChIKey of (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?

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

What are the key properties of (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?

(3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 410.60 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67742248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).