(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

C31H36N2O2 — CID 69355544

About (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 69355544) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 69355544
• Molecular Formula: C31H36N2O2
• Molecular Weight: 468.64 g/mol
• Exact Mass: 468.28
• IUPAC Name: (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• SMILES: C[C@]12C=CC(=O)N(c3ccccc3)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)Nc3ccccc3)CC[C@@H]12
• InChI: InChI=1S/C31H36N2O2/c1-30-19-17-25-23(24(30)14-15-26(30)29(35)32-21-9-5-3-6-10-21)13-16-27-31(25,2)20-18-28(34)33(27)22-11-7-4-8-12-22/h3-12,18,20,23-27H,13-17,19H2,1-2H3,(H,32,35)/t23-,24-,25+,26?,27?,30-,31+/m0/s1
• InChIKey: FYQSTLOTIYPAJT-MKFRHQIJSA-N
• XLogP: 6.46
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.64
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 69355544) is (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

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

The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is C[C@]12C=CC(=O)N(c3ccccc3)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)Nc3ccccc3)CC[C@@H]12.

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

The InChIKey is FYQSTLOTIYPAJT-MKFRHQIJSA-N. The full InChI is InChI=1S/C31H36N2O2/c1-30-19-17-25-23(24(30)14-15-26(30)29(35)32-21-9-5-3-6-10-21)13-16-27-31(25,2)20-18-28(34)33(27)22-11-7-4-8-12-22/h3-12,18,20,23-27H,13-17,19H2,1-2H3,(H,32,35)/t23-,24-,25+,26?,27?,30-,31+/m0/s1.

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

(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,6-diphenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 69355544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).