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

C25H24N2O2 — CID 17243439

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

4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17243439) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• PubChem CID: 17243439
• Molecular Formula: C25H24N2O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.18
• IUPAC Name: 4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• SMILES: CN(C)C(=O)c1ccc2c(c1)C1C=CCC1C(c1c(O)ccc3ccccc13)N2
• InChI: InChI=1S/C25H24N2O2/c1-27(2)25(29)16-10-12-21-20(14-16)18-8-5-9-19(18)24(26-21)23-17-7-4-3-6-15(17)11-13-22(23)28/h3-8,10-14,18-19,24,26,28H,9H2,1-2H3
• InChIKey: QJYCXPIZEDDHPG-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
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,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The IUPAC name of 4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17243439) is 4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

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

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

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

The InChIKey is QJYCXPIZEDDHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-27(2)25(29)16-10-12-21-20(14-16)18-8-5-9-19(18)24(26-21)23-17-7-4-3-6-15(17)11-13-22(23)28/h3-8,10-14,18-19,24,26,28H,9H2,1-2H3.

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

4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17243439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).