(3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide

C30H46N2O2 — CID 57142173

About (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide

(3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide (PubChem CID 57142173) has the molecular formula C30H46N2O2 and a molecular weight of 466.71 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 57142173
• Molecular Formula: C30H46N2O2
• Molecular Weight: 466.71 g/mol
• Exact Mass: 466.36
• IUPAC Name: (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
• SMILES: CC1C[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1C(=O)NC12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C30H46N2O2/c1-17-10-23-21-4-5-24-28(2,9-7-25(33)31-24)22(21)6-8-29(23,3)26(17)27(34)32-30-14-18-11-19(15-30)13-20(12-18)16-30/h17-24,26H,4-16H2,1-3H3,(H,31,33)(H,32,34)/t17?,18?,19?,20?,21-,22-,23+,24?,26?,28-,29+,30?/m1/s1
• InChIKey: GSSIPUNPTAXPQC-LWIJMRFMSA-N
• XLogP: 5.45
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.71
LogP ≤ 5	5.45
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-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide (CID 57142173) is (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide.

What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide is CC1C[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1C(=O)NC12CC3CC(CC(C3)C1)C2.

What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The InChIKey is GSSIPUNPTAXPQC-LWIJMRFMSA-N. The full InChI is InChI=1S/C30H46N2O2/c1-17-10-23-21-4-5-24-28(2,9-7-25(33)31-24)22(21)6-8-29(23,3)26(17)27(34)32-30-14-18-11-19(15-30)13-20(12-18)16-30/h17-24,26H,4-16H2,1-3H3,(H,31,33)(H,32,34)/t17?,18?,19?,20?,21-,22-,23+,24?,26?,28-,29+,30?/m1/s1.

What are the key properties of (3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

(3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 466.71 g/mol, XLogP of 5.45, 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-adamantyl)-2,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 57142173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).