9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole

C29H30N2O — CID 17237125

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

9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole (PubChem CID 17237125) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is 9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole.

Molecular Properties

• Compound Name: 9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole
• PubChem CID: 17237125
• Molecular Formula: C29H30N2O
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.24
• IUPAC Name: 9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole
• SMILES: CCCOc1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)c1ccccc1n3CC)N2
• InChI: InChI=1S/C29H30N2O/c1-3-16-32-20-13-14-26-24(18-20)21-9-7-10-23(21)29(30-26)19-12-15-28-25(17-19)22-8-5-6-11-27(22)31(28)4-2/h5-9,11-15,17-18,21,23,29-30H,3-4,10,16H2,1-2H3
• InChIKey: KKKSFOMOQUNHGM-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 26.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	7.43
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 9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole?

The IUPAC name of 9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole (CID 17237125) is 9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole.

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

The canonical SMILES for 9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole is CCCOc1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)c1ccccc1n3CC)N2.

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

The InChIKey is KKKSFOMOQUNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-3-16-32-20-13-14-26-24(18-20)21-9-7-10-23(21)29(30-26)19-12-15-28-25(17-19)22-8-5-6-11-27(22)31(28)4-2/h5-9,11-15,17-18,21,23,29-30H,3-4,10,16H2,1-2H3.

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

9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole has a molecular weight of 422.57 g/mol, XLogP of 7.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole is sourced from PubChem (CID 17237125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).