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

C22H18N2O4 — CID 4100911

IUPAC2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C22H18N2O4/c25-15-6-4-14(5-7-15)24-21(26)17-3-1-2-16-19(23-10-12-28-13-11-23)9-8-18(20(16)17)22(24)27/h1-9,25H,10-13H2
InChIKeyUZVRHKVTWLRQEF-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.18
Rot. Bonds2

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

2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 4100911) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID4100911
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C22H18N2O4/c25-15-6-4-14(5-7-15)24-21(26)17-3-1-2-16-19(23-10-12-28-13-11-23)9-8-18(20(16)17)22(24)27/h1-9,25H,10-13H2
InChIKeyUZVRHKVTWLRQEF-UHFFFAOYSA-N
XLogP3.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione (CID 4100911) is 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is UZVRHKVTWLRQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-15-6-4-14(5-7-15)24-21(26)17-3-1-2-16-19(23-10-12-28-13-11-23)9-8-18(20(16)17)22(24)27/h1-9,25H,10-13H2.
What are the key properties of 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 374.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 4100911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).