N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

C30H28N2O2S — CID 17239183

About N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (PubChem CID 17239183) has the molecular formula C30H28N2O2S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
• PubChem CID: 17239183
• Molecular Formula: C30H28N2O2S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.19
• IUPAC Name: N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
• SMILES: CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2
• InChI: InChI=1S/C30H28N2O2S/c1-2-32(22-12-4-3-5-13-22)35(33,34)23-18-19-29-28(20-23)25-15-9-17-27(25)30(31-29)26-16-8-11-21-10-6-7-14-24(21)26/h3-16,18-20,25,27,30-31H,2,17H2,1H3
• InChIKey: BSGHAJSSNOSGCW-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	6.88
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-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

The IUPAC name of N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (CID 17239183) is N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide.

What is the SMILES notation for N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

The canonical SMILES for N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2.

What is the InChIKey of N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

The InChIKey is BSGHAJSSNOSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2S/c1-2-32(22-12-4-3-5-13-22)35(33,34)23-18-19-29-28(20-23)25-15-9-17-27(25)30(31-29)26-16-8-11-21-10-6-7-14-24(21)26/h3-16,18-20,25,27,30-31H,2,17H2,1H3.

What are the key properties of N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide has a molecular weight of 480.63 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-naphthalen-1-yl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide is sourced from PubChem (CID 17239183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).