2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione

C28H20N2O4 — CID 139796238

About 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione

2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 139796238) has the molecular formula C28H20N2O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

• Compound Name: 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione
• PubChem CID: 139796238
• Molecular Formula: C28H20N2O4
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.14
• IUPAC Name: 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione
• SMILES: COc1ccc2[nH]c3cc4c(=O)c5cc(OC)ccc5n(-c5ccccc5)c4cc3c(=O)c2c1
• InChI: InChI=1S/C28H20N2O4/c1-33-17-8-10-23-19(12-17)27(31)20-15-26-22(14-24(20)29-23)28(32)21-13-18(34-2)9-11-25(21)30(26)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,29,31)
• InChIKey: SQYSNLKYAWERCE-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 73.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione?

The IUPAC name of 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione (CID 139796238) is 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione.

What is the SMILES notation for 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione?

The canonical SMILES for 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione is COc1ccc2[nH]c3cc4c(=O)c5cc(OC)ccc5n(-c5ccccc5)c4cc3c(=O)c2c1.

What is the InChIKey of 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione?

The InChIKey is SQYSNLKYAWERCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O4/c1-33-17-8-10-23-19(12-17)27(31)20-15-26-22(14-24(20)29-23)28(32)21-13-18(34-2)9-11-25(21)30(26)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,29,31).

What are the key properties of 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione?

2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 448.48 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139796238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).