pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone

C26H30N2O — CID 17238011

About pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone

pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone (PubChem CID 17238011) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone.

Molecular Properties

• Compound Name: pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
• PubChem CID: 17238011
• Molecular Formula: C26H30N2O
• Molecular Weight: 386.54 g/mol
• Exact Mass: 386.24
• IUPAC Name: pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
• SMILES: Cc1cc(C)c(C2Nc3ccc(C(=O)N4CCCC4)cc3C3C=CCC32)c(C)c1
• InChI: InChI=1S/C26H30N2O/c1-16-13-17(2)24(18(3)14-16)25-21-8-6-7-20(21)22-15-19(9-10-23(22)27-25)26(29)28-11-4-5-12-28/h6-7,9-10,13-15,20-21,25,27H,4-5,8,11-12H2,1-3H3
• InChIKey: SYMCFWPKPYTSAL-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.54
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
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 pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone?

The IUPAC name of pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone (CID 17238011) is pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone.

What is the SMILES notation for pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone?

The canonical SMILES for pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone is Cc1cc(C)c(C2Nc3ccc(C(=O)N4CCCC4)cc3C3C=CCC32)c(C)c1.

What is the InChIKey of pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone?

The InChIKey is SYMCFWPKPYTSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-16-13-17(2)24(18(3)14-16)25-21-8-6-7-20(21)22-15-19(9-10-23(22)27-25)26(29)28-11-4-5-12-28/h6-7,9-10,13-15,20-21,25,27H,4-5,8,11-12H2,1-3H3.

What are the key properties of pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone?

pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone has a molecular weight of 386.54 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone is sourced from PubChem (CID 17238011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).