N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C30H32N2O — CID 17239089

About N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17239089) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17239089
• Molecular Formula: C30H32N2O
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.25
• IUPAC Name: N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: CC(C)c1ccc(C2Nc3c(C(=O)NCCc4ccccc4)cccc3C3C=CCC32)cc1
• InChI: InChI=1S/C30H32N2O/c1-20(2)22-14-16-23(17-15-22)28-25-11-6-10-24(25)26-12-7-13-27(29(26)32-28)30(33)31-19-18-21-8-4-3-5-9-21/h3-10,12-17,20,24-25,28,32H,11,18-19H2,1-2H3,(H,31,33)
• InChIKey: GPTOZMDEEOGKFR-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	6.61
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-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17239089) is N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

What is the SMILES notation for N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The canonical SMILES for N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is CC(C)c1ccc(C2Nc3c(C(=O)NCCc4ccccc4)cccc3C3C=CCC32)cc1.

What is the InChIKey of N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The InChIKey is GPTOZMDEEOGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-20(2)22-14-16-23(17-15-22)28-25-11-6-10-24(25)26-12-7-13-27(29(26)32-28)30(33)31-19-18-21-8-4-3-5-9-21/h3-10,12-17,20,24-25,28,32H,11,18-19H2,1-2H3,(H,31,33).

What are the key properties of N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17239089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).