2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide

C25H34N4O2 — CID 11201022

About 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide

2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide (PubChem CID 11201022) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide
• PubChem CID: 11201022
• Molecular Formula: C25H34N4O2
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.27
• IUPAC Name: 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide
• SMILES: CN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(=O)Nc4cnccn4)C3CCC12
• InChI: InChI=1S/C25H34N4O2/c1-24-10-8-19-17(5-7-20-25(19,2)11-9-23(31)29(20)3)18(24)6-4-16(24)14-22(30)28-21-15-26-12-13-27-21/h9,11-13,15-20H,4-8,10,14H2,1-3H3,(H,27,28,30)/t16-,17?,18?,19?,20?,24-,25-/m1/s1
• InChIKey: XMNRZNMQGXKQEA-NCMZUIPXSA-N
• XLogP: 4.06
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide?

The IUPAC name of 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide (CID 11201022) is 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide.

What is the SMILES notation for 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide?

The canonical SMILES for 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide is CN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(=O)Nc4cnccn4)C3CCC12.

What is the InChIKey of 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide?

The InChIKey is XMNRZNMQGXKQEA-NCMZUIPXSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-24-10-8-19-17(5-7-20-25(19,2)11-9-23(31)29(20)3)18(24)6-4-16(24)14-22(30)28-21-15-26-12-13-27-21/h9,11-13,15-20H,4-8,10,14H2,1-3H3,(H,27,28,30)/t16-,17?,18?,19?,20?,24-,25-/m1/s1.

What are the key properties of 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide?

2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide has a molecular weight of 422.57 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 11201022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).