3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole

C30H32N2O — CID 17237155

About 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole

3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole (PubChem CID 17237155) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole.

Molecular Properties

• Compound Name: 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole
• PubChem CID: 17237155
• Molecular Formula: C30H32N2O
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.25
• IUPAC Name: 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole
• SMILES: CCC(C)Oc1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)c1ccccc1n3CC)N2
• InChI: InChI=1S/C30H32N2O/c1-4-19(3)33-21-14-15-27-25(18-21)22-10-8-11-24(22)30(31-27)20-13-16-29-26(17-20)23-9-6-7-12-28(23)32(29)5-2/h6-10,12-19,22,24,30-31H,4-5,11H2,1-3H3
• InChIKey: DNYSCSCWRQHGTK-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 26.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	7.82
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-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole?

The IUPAC name of 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole (CID 17237155) is 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole.

What is the SMILES notation for 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole?

The canonical SMILES for 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole is CCC(C)Oc1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)c1ccccc1n3CC)N2.

What is the InChIKey of 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole?

The InChIKey is DNYSCSCWRQHGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-4-19(3)33-21-14-15-27-25(18-21)22-10-8-11-24(22)30(31-27)20-13-16-29-26(17-20)23-9-6-7-12-28(23)32(29)5-2/h6-10,12-19,22,24,30-31H,4-5,11H2,1-3H3.

What are the key properties of 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole?

3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole has a molecular weight of 436.60 g/mol, XLogP of 7.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-butan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole is sourced from PubChem (CID 17237155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).