15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

C23H26N2O3 — CID 162873905

About 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one (PubChem CID 162873905) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one.

Molecular Properties

• Compound Name: 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
• PubChem CID: 162873905
• Molecular Formula: C23H26N2O3
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.19
• IUPAC Name: 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
• SMILES: CCOC12C3CC(=O)N4c5ccccc5C5(CCN6CC(=CCO3)C1CC65)C42
• InChI: InChI=1S/C23H26N2O3/c1-2-28-23-16-11-18-22-8-9-24(18)13-14(16)7-10-27-19(23)12-20(26)25(21(22)23)17-6-4-3-5-15(17)22/h3-7,16,18-19,21H,2,8-13H2,1H3
• InChIKey: WZEMGGLCLHIQAS-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.47
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

The IUPAC name of 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one (CID 162873905) is 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one.

What is the SMILES notation for 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

The canonical SMILES for 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one is CCOC12C3CC(=O)N4c5ccccc5C5(CCN6CC(=CCO3)C1CC65)C42.

What is the InChIKey of 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

The InChIKey is WZEMGGLCLHIQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-28-23-16-11-18-22-8-9-24(18)13-14(16)7-10-27-19(23)12-20(26)25(21(22)23)17-6-4-3-5-15(17)22/h3-7,16,18-19,21H,2,8-13H2,1H3.

What are the key properties of 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one has a molecular weight of 378.47 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15b-ethoxy-2,4a,5,5a,7,8,13a,15,15a,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one is sourced from PubChem (CID 162873905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).