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

C27H46N4O3 — CID 57140639

About (3aS,3bS,9aR,9bR,11aS)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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 57140639) has the molecular formula C27H46N4O3 and a molecular weight of 474.69 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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: 57140639
• Molecular Formula: C27H46N4O3
• Molecular Weight: 474.69 g/mol
• Exact Mass: 474.36
• IUPAC Name: (3aS,3bS,9aR,9bR,11aS)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
• SMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
• InChI: InChI=1S/C27H46N4O3/c1-6-28-25(34)31(17-7-16-30(4)5)24(33)21-10-9-19-18-8-11-22-27(3,15-13-23(32)29-22)20(18)12-14-26(19,21)2/h18-22H,6-17H2,1-5H3,(H,28,34)(H,29,32)/t18-,19-,20+,21?,22?,26-,27+/m0/s1
• InChIKey: ZEFIESMUDFSYQC-QNEMDCJTSA-N
• XLogP: 3.63
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.69
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide (CID 57140639) is (3aS,3bS,9aR,9bR,11aS)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide is CCNC(=O)N(CCCN(C)C)C(=O)C1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C.

What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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 ZEFIESMUDFSYQC-QNEMDCJTSA-N. The full InChI is InChI=1S/C27H46N4O3/c1-6-28-25(34)31(17-7-16-30(4)5)24(33)21-10-9-19-18-8-11-22-27(3,15-13-23(32)29-22)20(18)12-14-26(19,21)2/h18-22H,6-17H2,1-5H3,(H,28,34)(H,29,32)/t18-,19-,20+,21?,22?,26-,27+/m0/s1.

What are the key properties of (3aS,3bS,9aR,9bR,11aS)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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 474.69 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,3bS,9aR,9bR,11aS)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-9a,11a-dimethyl-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 57140639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).