2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione

C23H20N2O3 — CID 1105075

IUPAC2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-15-5-7-16(8-6-15)25-22(26)18-4-2-3-17-20(24-11-13-28-14-12-24)10-9-19(21(17)18)23(25)27/h2-10H,11-14H2,1H3
InChIKeyULHFIYZTXISSIM-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.79
Rot. Bonds2

About 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione

2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 1105075) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID1105075
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-15-5-7-16(8-6-15)25-22(26)18-4-2-3-17-20(24-11-13-28-14-12-24)10-9-19(21(17)18)23(25)27/h2-10H,11-14H2,1H3
InChIKeyULHFIYZTXISSIM-UHFFFAOYSA-N
XLogP3.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione (CID 1105075) is 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione is Cc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is ULHFIYZTXISSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-5-7-16(8-6-15)25-22(26)18-4-2-3-17-20(24-11-13-28-14-12-24)10-9-19(21(17)18)23(25)27/h2-10H,11-14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 372.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 1105075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).