4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

C27H34N2O2 — CID 17242285

About 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17242285) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• PubChem CID: 17242285
• Molecular Formula: C27H34N2O2
• Molecular Weight: 418.58 g/mol
• Exact Mass: 418.26
• IUPAC Name: 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• SMILES: CCCN(CCC)C(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(OCC)cc1)N2
• InChI: InChI=1S/C27H34N2O2/c1-4-16-29(17-5-2)27(30)20-12-15-25-24(18-20)22-8-7-9-23(22)26(28-25)19-10-13-21(14-11-19)31-6-3/h7-8,10-15,18,22-23,26,28H,4-6,9,16-17H2,1-3H3
• InChIKey: ZDRKFRPHARMXJA-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.58
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The IUPAC name of 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17242285) is 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

What is the SMILES notation for 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The canonical SMILES for 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is CCCN(CCC)C(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(OCC)cc1)N2.

What is the InChIKey of 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The InChIKey is ZDRKFRPHARMXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-4-16-29(17-5-2)27(30)20-12-15-25-24(18-20)22-8-7-9-23(22)26(28-25)19-10-13-21(14-11-19)31-6-3/h7-8,10-15,18,22-23,26,28H,4-6,9,16-17H2,1-3H3.

What are the key properties of 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17242285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).