2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide

C25H30N2O — CID 17239154

About 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide

2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide (PubChem CID 17239154) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide
• PubChem CID: 17239154
• Molecular Formula: C25H30N2O
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.24
• IUPAC Name: 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide
• SMILES: CC(C)C(=O)Nc1ccc2c(c1)C1C=CCC1C(c1ccc(C(C)C)cc1)N2
• InChI: InChI=1S/C25H30N2O/c1-15(2)17-8-10-18(11-9-17)24-21-7-5-6-20(21)22-14-19(12-13-23(22)27-24)26-25(28)16(3)4/h5-6,8-16,20-21,24,27H,7H2,1-4H3,(H,26,28)
• InChIKey: GPUPKNBJPZFWCH-UHFFFAOYSA-N
• XLogP: 6.23
• 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	6.23
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 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide?

The IUPAC name of 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide (CID 17239154) is 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide.

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

The canonical SMILES for 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide is CC(C)C(=O)Nc1ccc2c(c1)C1C=CCC1C(c1ccc(C(C)C)cc1)N2.

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

The InChIKey is GPUPKNBJPZFWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-15(2)17-8-10-18(11-9-17)24-21-7-5-6-20(21)22-14-19(12-13-23(22)27-24)26-25(28)16(3)4/h5-6,8-16,20-21,24,27H,7H2,1-4H3,(H,26,28).

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

2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 6.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide is sourced from PubChem (CID 17239154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).