2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide

C28H39N3O2 — CID 59728834

About 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide

2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide (PubChem CID 59728834) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide
• PubChem CID: 59728834
• Molecular Formula: C28H39N3O2
• Molecular Weight: 449.64 g/mol
• Exact Mass: 449.30
• IUPAC Name: 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide
• SMILES: CC1=C2N(C)C(=O)CC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@H]3CC(=O)Nc3ccnc(C)c3)C2C1
• InChI: InChI=1S/C28H39N3O2/c1-17-14-21-22-7-6-19(16-24(32)30-20-10-13-29-18(2)15-20)27(22,3)11-8-23(21)28(4)12-9-25(33)31(5)26(17)28/h10,13,15,19,21-23H,6-9,11-12,14,16H2,1-5H3,(H,29,30,32)/t19-,21?,22?,23?,27-,28-/m1/s1
• InChIKey: LZUGVEBJAICNIY-ROGDMFQRSA-N
• XLogP: 5.71
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.64
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide?

The IUPAC name of 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide (CID 59728834) is 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide.

What is the SMILES notation for 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide?

The canonical SMILES for 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide is CC1=C2N(C)C(=O)CC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@H]3CC(=O)Nc3ccnc(C)c3)C2C1.

What is the InChIKey of 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide?

The InChIKey is LZUGVEBJAICNIY-ROGDMFQRSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-17-14-21-22-7-6-19(16-24(32)30-20-10-13-29-18(2)15-20)27(22,3)11-8-23(21)28(4)12-9-25(33)31(5)26(17)28/h10,13,15,19,21-23H,6-9,11-12,14,16H2,1-5H3,(H,29,30,32)/t19-,21?,22?,23?,27-,28-/m1/s1.

What are the key properties of 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide?

2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide has a molecular weight of 449.64 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide is sourced from PubChem (CID 59728834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).