N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide

C26H26N2O — CID 17240887

About N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide

N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide (PubChem CID 17240887) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide
• PubChem CID: 17240887
• Molecular Formula: C26H26N2O
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.20
• IUPAC Name: N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide
• SMILES: CCCC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1ccc3ccccc3c1)N2
• InChI: InChI=1S/C26H26N2O/c1-2-6-25(29)27-20-13-14-24-23(16-20)21-9-5-10-22(21)26(28-24)19-12-11-17-7-3-4-8-18(17)15-19/h3-5,7-9,11-16,21-22,26,28H,2,6,10H2,1H3,(H,27,29)
• InChIKey: BKEMMKYEPXSKGB-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide?

The IUPAC name of N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide (CID 17240887) is N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide.

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

The canonical SMILES for N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1ccc3ccccc3c1)N2.

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

The InChIKey is BKEMMKYEPXSKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-2-6-25(29)27-20-13-14-24-23(16-20)21-9-5-10-22(21)26(28-24)19-12-11-17-7-3-4-8-18(17)15-19/h3-5,7-9,11-16,21-22,26,28H,2,6,10H2,1H3,(H,27,29).

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

N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide has a molecular weight of 382.51 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide is sourced from PubChem (CID 17240887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).