5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

C24H27NO4 — CID 54090511

About 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (PubChem CID 54090511) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

Molecular Properties

• Compound Name: 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
• PubChem CID: 54090511
• Molecular Formula: C24H27NO4
• Molecular Weight: 393.48 g/mol
• Exact Mass: 393.19
• IUPAC Name: 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
• SMILES: COc1c(O)ccc2c1-c1ccc3c(c1C(C=C(C)CO)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C24H27NO4/c1-13(12-26)10-19-21-15(22-18(29-19)9-8-17(27)23(22)28-5)6-7-16-20(21)14(2)11-24(3,4)25-16/h6-11,19,25-27H,12H2,1-5H3
• InChIKey: MTNDWLSVQYILIN-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 70.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

The IUPAC name of 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (CID 54090511) is 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

What is the SMILES notation for 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

The canonical SMILES for 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1C(C=C(C)CO)O2)C(C)=CC(C)(C)N3.

What is the InChIKey of 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

The InChIKey is MTNDWLSVQYILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-13(12-26)10-19-21-15(22-18(29-19)9-8-17(27)23(22)28-5)6-7-16-20(21)14(2)11-24(3,4)25-16/h6-11,19,25-27H,12H2,1-5H3.

What are the key properties of 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol has a molecular weight of 393.48 g/mol, XLogP of 5.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 54090511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).