N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C28H28N2O2 — CID 17236375

About N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17236375) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17236375
• Molecular Formula: C28H28N2O2
• Molecular Weight: 424.54 g/mol
• Exact Mass: 424.22
• IUPAC Name: N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: CCN(C(=O)c1cccc2c1NC(c1ccc(OC)cc1)C1CC=CC21)c1ccccc1
• InChI: InChI=1S/C28H28N2O2/c1-3-30(20-9-5-4-6-10-20)28(31)25-14-8-13-24-22-11-7-12-23(22)26(29-27(24)25)19-15-17-21(32-2)18-16-19/h4-11,13-18,22-23,26,29H,3,12H2,1-2H3
• InChIKey: OZGIEGSFSJTDEF-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 41.57 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	424.54
LogP ≤ 5	6.19
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 N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17236375) is N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

What is the SMILES notation for N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The canonical SMILES for N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is CCN(C(=O)c1cccc2c1NC(c1ccc(OC)cc1)C1CC=CC21)c1ccccc1.

What is the InChIKey of N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The InChIKey is OZGIEGSFSJTDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-3-30(20-9-5-4-6-10-20)28(31)25-14-8-13-24-22-11-7-12-23(22)26(29-27(24)25)19-15-17-21(32-2)18-16-19/h4-11,13-18,22-23,26,29H,3,12H2,1-2H3.

What are the key properties of N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17236375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).