2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide

C28H41N3O2 — CID 90787521

About 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide

2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide (PubChem CID 90787521) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide
• PubChem CID: 90787521
• Molecular Formula: C28H41N3O2
• Molecular Weight: 451.66 g/mol
• Exact Mass: 451.32
• IUPAC Name: 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide
• SMILES: CN1CC=CC=C1CNC(=O)CC1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
• InChI: InChI=1S/C28H41N3O2/c1-27-14-12-23-21(9-11-24-28(23,2)15-13-26(33)31(24)4)22(27)10-8-19(27)17-25(32)29-18-20-7-5-6-16-30(20)3/h5-7,13,15,19,21-24H,8-12,14,16-18H2,1-4H3,(H,29,32)/t19?,21-,22-,23-,24+,27+,28+/m0/s1
• InChIKey: DZQXDIFFYOERFN-PEDZBQCXSA-N
• XLogP: 4.13
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.66
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide?

The IUPAC name of 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide (CID 90787521) is 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide.

What is the SMILES notation for 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide?

The canonical SMILES for 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide is CN1CC=CC=C1CNC(=O)CC1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C.

What is the InChIKey of 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide?

The InChIKey is DZQXDIFFYOERFN-PEDZBQCXSA-N. The full InChI is InChI=1S/C28H41N3O2/c1-27-14-12-23-21(9-11-24-28(23,2)15-13-26(33)31(24)4)22(27)10-8-19(27)17-25(32)29-18-20-7-5-6-16-30(20)3/h5-7,13,15,19,21-24H,8-12,14,16-18H2,1-4H3,(H,29,32)/t19?,21-,22-,23-,24+,27+,28+/m0/s1.

What are the key properties of 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide?

2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide has a molecular weight of 451.66 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3aS,3bS,5aR,9aR,9bS,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-[(1-methyl-2H-pyridin-6-yl)methyl]acetamide is sourced from PubChem (CID 90787521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).