6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid

C28H37NO5 — CID 122516802

About 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid

6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid (PubChem CID 122516802) has the molecular formula C28H37NO5 and a molecular weight of 467.61 g/mol. Its IUPAC name is 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
• PubChem CID: 122516802
• Molecular Formula: C28H37NO5
• Molecular Weight: 467.61 g/mol
• Exact Mass: 467.27
• IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
• SMILES: CCOc1ccc2c(c1)C(C)=CC(C)(C)N2.Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)O2
• InChI: InChI=1S/C14H19NO.C14H18O4/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13;1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h6-9,15H,5H2,1-4H3;15H,5-6H2,1-4H3,(H,16,17)
• InChIKey: IWBGQFSLJZJBFJ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 88.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.61
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid?

The IUPAC name of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid (CID 122516802) is 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid.

What is the SMILES notation for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid?

The canonical SMILES for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2.Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)O2.

What is the InChIKey of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid?

The InChIKey is IWBGQFSLJZJBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C14H18O4/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13;1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h6-9,15H,5H2,1-4H3;15H,5-6H2,1-4H3,(H,16,17).

What are the key properties of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid?

6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid has a molecular weight of 467.61 g/mol, XLogP of 6.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 122516802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).