N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C28H34N2O2 — CID 17242738

About N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17242738) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17242738
• Molecular Formula: C28H34N2O2
• Molecular Weight: 430.59 g/mol
• Exact Mass: 430.26
• IUPAC Name: N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: CCOc1ccccc1C1Nc2c(C(=O)N(C)C3CCCCC3)cccc2C2C=CCC21
• InChI: InChI=1S/C28H34N2O2/c1-3-32-25-18-8-7-13-23(25)26-21-15-9-14-20(21)22-16-10-17-24(27(22)29-26)28(31)30(2)19-11-5-4-6-12-19/h7-10,13-14,16-21,26,29H,3-6,11-12,15H2,1-2H3
• InChIKey: FGMDHFJUHUZZRX-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.59
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
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 N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17242738) is N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

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

The canonical SMILES for N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is CCOc1ccccc1C1Nc2c(C(=O)N(C)C3CCCCC3)cccc2C2C=CCC21.

What is the InChIKey of N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The InChIKey is FGMDHFJUHUZZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-3-32-25-18-8-7-13-23(25)26-21-15-9-14-20(21)22-16-10-17-24(27(22)29-26)28(31)30(2)19-11-5-4-6-12-19/h7-10,13-14,16-21,26,29H,3-6,11-12,15H2,1-2H3.

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

N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17242738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).