4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

C29H32N2O — CID 17239310

About 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17239310) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• PubChem CID: 17239310
• Molecular Formula: C29H32N2O
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.25
• IUPAC Name: 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• SMILES: CCCN(CCC)C(=O)c1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2
• InChI: InChI=1S/C29H32N2O/c1-3-17-31(18-4-2)29(32)21-15-16-27-26(19-21)23-12-8-14-25(23)28(30-27)24-13-7-10-20-9-5-6-11-22(20)24/h5-13,15-16,19,23,25,28,30H,3-4,14,17-18H2,1-2H3
• InChIKey: LWSYTWGCEJMWQK-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	6.93
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 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The IUPAC name of 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17239310) is 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

What is the SMILES notation for 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The canonical SMILES for 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is CCCN(CCC)C(=O)c1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2.

What is the InChIKey of 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The InChIKey is LWSYTWGCEJMWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-3-17-31(18-4-2)29(32)21-15-16-27-26(19-21)23-12-8-14-25(23)28(30-27)24-13-7-10-20-9-5-6-11-22(20)24/h5-13,15-16,19,23,25,28,30H,3-4,14,17-18H2,1-2H3.

What are the key properties of 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-1-yl-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17239310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).