5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C28H33NO2 — CID 23552301

About 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 23552301) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

• Compound Name: 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
• PubChem CID: 23552301
• Molecular Formula: C28H33NO2
• Molecular Weight: 415.58 g/mol
• Exact Mass: 415.25
• IUPAC Name: 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
• SMILES: COc1cccc2c1-c1ccc3c(c1C(CC=C1CCCCC1)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C28H33NO2/c1-18-17-28(2,3)29-21-15-14-20-26-22(30-4)11-8-12-23(26)31-24(27(20)25(18)21)16-13-19-9-6-5-7-10-19/h8,11-15,17,24,29H,5-7,9-10,16H2,1-4H3
• InChIKey: CPHQLHKEGGYPQS-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.58
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?

The IUPAC name of 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 23552301) is 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

What is the SMILES notation for 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?

The canonical SMILES for 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is COc1cccc2c1-c1ccc3c(c1C(CC=C1CCCCC1)O2)C(C)=CC(C)(C)N3.

What is the InChIKey of 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?

The InChIKey is CPHQLHKEGGYPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-18-17-28(2,3)29-21-15-14-20-26-22(30-4)11-8-12-23(26)31-24(27(20)25(18)21)16-13-19-9-6-5-7-10-19/h8,11-15,17,24,29H,5-7,9-10,16H2,1-4H3.

What are the key properties of 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?

5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 415.58 g/mol, XLogP of 7.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 23552301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).