3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide

C26H24N2O — CID 17252662

About 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide

3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide (PubChem CID 17252662) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide
• PubChem CID: 17252662
• Molecular Formula: C26H24N2O
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.19
• IUPAC Name: 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide
• SMILES: Cc1cccc(C(=O)Nc2ccc3c(c2)C2C=CCC2C(c2ccccc2)N3)c1
• InChI: InChI=1S/C26H24N2O/c1-17-7-5-10-19(15-17)26(29)27-20-13-14-24-23(16-20)21-11-6-12-22(21)25(28-24)18-8-3-2-4-9-18/h2-11,13-16,21-22,25,28H,12H2,1H3,(H,27,29)
• InChIKey: XHMWEQKBZPQEAF-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	6.07
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 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide?

The IUPAC name of 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide (CID 17252662) is 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide.

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

The canonical SMILES for 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)C2C=CCC2C(c2ccccc2)N3)c1.

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

The InChIKey is XHMWEQKBZPQEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-17-7-5-10-19(15-17)26(29)27-20-13-14-24-23(16-20)21-11-6-12-22(21)25(28-24)18-8-3-2-4-9-18/h2-11,13-16,21-22,25,28H,12H2,1H3,(H,27,29).

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

3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide is sourced from PubChem (CID 17252662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).