(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one

C24H33NOS — CID 67619317

About (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one

(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 67619317) has the molecular formula C24H33NOS and a molecular weight of 383.60 g/mol. Its IUPAC name is (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

• Compound Name: (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
• PubChem CID: 67619317
• Molecular Formula: C24H33NOS
• Molecular Weight: 383.60 g/mol
• Exact Mass: 383.23
• IUPAC Name: (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
• SMILES: C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/c3cccs3)CC[C@@H]12
• InChI: InChI=1S/C24H33NOS/c1-23-13-11-20-18(8-10-21-24(20,2)14-12-22(26)25-21)19(23)9-6-16(23)5-7-17-4-3-15-27-17/h3-5,7,15-16,18-21H,6,8-14H2,1-2H3,(H,25,26)/b7-5+/t16-,18-,19-,20-,21+,23+,24+/m0/s1
• InChIKey: QHENYNTZRHAOSR-BUMXJEHCSA-N
• XLogP: 5.90
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.60
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?

The IUPAC name of (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one (CID 67619317) is (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one.

What is the SMILES notation for (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?

The canonical SMILES for (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one is C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/c3cccs3)CC[C@@H]12.

What is the InChIKey of (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?

The InChIKey is QHENYNTZRHAOSR-BUMXJEHCSA-N. The full InChI is InChI=1S/C24H33NOS/c1-23-13-11-20-18(8-10-21-24(20,2)14-12-22(26)25-21)19(23)9-6-16(23)5-7-17-4-3-15-27-17/h3-5,7,15-16,18-21H,6,8-14H2,1-2H3,(H,25,26)/b7-5+/t16-,18-,19-,20-,21+,23+,24+/m0/s1.

What are the key properties of (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?

(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 383.60 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(E)-2-thiophen-2-ylethenyl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67619317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).