4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

C26H26N2O2 — CID 17243435

About 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17243435) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• PubChem CID: 17243435
• Molecular Formula: C26H26N2O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.20
• IUPAC Name: 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• SMILES: CCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1c(O)ccc3ccccc13)N2
• InChI: InChI=1S/C26H26N2O2/c1-2-14-27-26(30)17-10-12-22-21(15-17)19-8-5-9-20(19)25(28-22)24-18-7-4-3-6-16(18)11-13-23(24)29/h3-8,10-13,15,19-20,25,28-29H,2,9,14H2,1H3,(H,27,30)
• InChIKey: JTSAZHMWPIPBBY-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 61.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The IUPAC name of 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17243435) is 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

What is the SMILES notation for 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The canonical SMILES for 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is CCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1c(O)ccc3ccccc13)N2.

What is the InChIKey of 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The InChIKey is JTSAZHMWPIPBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-2-14-27-26(30)17-10-12-22-21(15-17)19-8-5-9-20(19)25(28-22)24-18-7-4-3-6-16(18)11-13-23(24)29/h3-8,10-13,15,19-20,25,28-29H,2,9,14H2,1H3,(H,27,30).

What are the key properties of 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-hydroxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17243435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).