N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide

C25H30N2O — CID 17238016

About N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide

N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide (PubChem CID 17238016) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide.

Molecular Properties

• Compound Name: N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide
• PubChem CID: 17238016
• Molecular Formula: C25H30N2O
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.24
• IUPAC Name: N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide
• SMILES: CCCC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1c(C)cc(C)cc1C)N2
• InChI: InChI=1S/C25H30N2O/c1-5-7-23(28)26-18-10-11-22-21(14-18)19-8-6-9-20(19)25(27-22)24-16(3)12-15(2)13-17(24)4/h6,8,10-14,19-20,25,27H,5,7,9H2,1-4H3,(H,26,28)
• InChIKey: UOSONXCOFMIAOT-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.53
LogP ≤ 5	6.18
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-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide?

The IUPAC name of N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide (CID 17238016) is N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide.

What is the SMILES notation for N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide?

The canonical SMILES for N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1c(C)cc(C)cc1C)N2.

What is the InChIKey of N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide?

The InChIKey is UOSONXCOFMIAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-5-7-23(28)26-18-10-11-22-21(14-18)19-8-6-9-20(19)25(27-22)24-16(3)12-15(2)13-17(24)4/h6,8,10-14,19-20,25,27H,5,7,9H2,1-4H3,(H,26,28).

What are the key properties of N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide?

N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide has a molecular weight of 374.53 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide is sourced from PubChem (CID 17238016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).