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

C32H30N2O2 — CID 17242393

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

4-(2-methoxynaphthalen-1-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17242393) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-(2-methoxynaphthalen-1-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-(2-methoxynaphthalen-1-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17242393
• Molecular Formula: C32H30N2O2
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.23
• IUPAC Name: 4-(2-methoxynaphthalen-1-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: COc1ccc2ccccc2c1C1Nc2c(C(=O)NC(C)c3ccccc3)cccc2C2C=CCC21
• InChI: InChI=1S/C32H30N2O2/c1-20(21-10-4-3-5-11-21)33-32(35)27-17-9-15-25-24-14-8-16-26(24)31(34-30(25)27)29-23-13-7-6-12-22(23)18-19-28(29)36-2/h3-15,17-20,24,26,31,34H,16H2,1-2H3,(H,33,35)
• InChIKey: PADKWYAUCXIFOM-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	7.17
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-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of 4-(2-methoxynaphthalen-1-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17242393) is 4-(2-methoxynaphthalen-1-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

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

The canonical SMILES for 4-(2-methoxynaphthalen-1-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is COc1ccc2ccccc2c1C1Nc2c(C(=O)NC(C)c3ccccc3)cccc2C2C=CCC21.

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

The InChIKey is PADKWYAUCXIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-20(21-10-4-3-5-11-21)33-32(35)27-17-9-15-25-24-14-8-16-26(24)31(34-30(25)27)29-23-13-7-6-12-22(23)18-19-28(29)36-2/h3-15,17-20,24,26,31,34H,16H2,1-2H3,(H,33,35).

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

4-(2-methoxynaphthalen-1-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 474.60 g/mol, XLogP of 7.17, 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-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17242393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).