3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole

C28H28N2O — CID 17237032

About 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole

3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole (PubChem CID 17237032) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole.

Molecular Properties

• Compound Name: 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole
• PubChem CID: 17237032
• Molecular Formula: C28H28N2O
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.22
• IUPAC Name: 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole
• SMILES: CCOc1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)c1ccccc1n3CC)N2
• InChI: InChI=1S/C28H28N2O/c1-3-30-26-11-6-5-8-21(26)24-16-18(12-15-27(24)30)28-22-10-7-9-20(22)23-17-19(31-4-2)13-14-25(23)29-28/h5-9,11-17,20,22,28-29H,3-4,10H2,1-2H3
• InChIKey: CRTFPBNLIYZITM-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 26.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole?

The IUPAC name of 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole (CID 17237032) is 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole.

What is the SMILES notation for 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole?

The canonical SMILES for 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole is CCOc1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)c1ccccc1n3CC)N2.

What is the InChIKey of 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole?

The InChIKey is CRTFPBNLIYZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-3-30-26-11-6-5-8-21(26)24-16-18(12-15-27(24)30)28-22-10-7-9-20(22)23-17-19(31-4-2)13-14-25(23)29-28/h5-9,11-17,20,22,28-29H,3-4,10H2,1-2H3.

What are the key properties of 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole?

3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole has a molecular weight of 408.55 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole is sourced from PubChem (CID 17237032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).