4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C27H28N2O2 — CID 17242408

About 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17242408) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17242408
• Molecular Formula: C27H28N2O2
• Molecular Weight: 412.53 g/mol
• Exact Mass: 412.22
• IUPAC Name: 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: CCCNC(=O)c1cccc2c1NC(c1c(OC)ccc3ccccc13)C1CC=CC21
• InChI: InChI=1S/C27H28N2O2/c1-3-16-28-27(30)22-13-7-11-20-19-10-6-12-21(19)26(29-25(20)22)24-18-9-5-4-8-17(18)14-15-23(24)31-2/h4-11,13-15,19,21,26,29H,3,12,16H2,1-2H3,(H,28,30)
• InChIKey: GVVVYBGUVWTBBV-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17242408) is 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

What is the SMILES notation for 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The canonical SMILES for 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is CCCNC(=O)c1cccc2c1NC(c1c(OC)ccc3ccccc13)C1CC=CC21.

What is the InChIKey of 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The InChIKey is GVVVYBGUVWTBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-3-16-28-27(30)22-13-7-11-20-19-10-6-12-21(19)26(29-25(20)22)24-18-9-5-4-8-17(18)14-15-23(24)31-2/h4-11,13-15,19,21,26,29H,3,12,16H2,1-2H3,(H,28,30).

What are the key properties of 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17242408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).