1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione

C25H19N3O4 — CID 168556936

IUPAC1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cccc3c(=O)c4cccc(-c5ccccc5)c4[nH]c23)C(=O)N1CCO
InChIInChI=1S/C25H19N3O4/c29-13-12-28-21(30)14-20(25(28)32)26-19-11-5-10-18-23(19)27-22-16(15-6-2-1-3-7-15)8-4-9-17(22)24(18)31/h1-11,14,26,29H,12-13H2,(H,27,31)
InChIKeyREUDLQXLLUQJGU-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione (PubChem CID 168556936) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione
PubChem CID168556936
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cccc3c(=O)c4cccc(-c5ccccc5)c4[nH]c23)C(=O)N1CCO
InChIInChI=1S/C25H19N3O4/c29-13-12-28-21(30)14-20(25(28)32)26-19-11-5-10-18-23(19)27-22-16(15-6-2-1-3-7-15)8-4-9-17(22)24(18)31/h1-11,14,26,29H,12-13H2,(H,27,31)
InChIKeyREUDLQXLLUQJGU-UHFFFAOYSA-N
XLogP3.01
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-[(5-hydroxynaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557850
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylisoindole-1,3-dione
CID 168559358
1-(2-hydroxyethyl)-3-[(4-methylnaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557289
3-[(3-bromo-2H-indazol-7-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557496
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-(2-methylphenyl)isoindole-1,3-dione
CID 168558302
1-(2-hydroxyethyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]pyrrole-2,5-dione
CID 168559726
3-[2-(azepan-1-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559724
2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-methylbenzenesulfonamide
CID 168556258
1-(2-hydroxyethyl)-3-[4-(2-methoxyphenyl)anilino]pyrrole-2,5-dione
CID 168560657
3-[(2-ethyl-3-methyl-1-benzofuran-7-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559320
3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558491
1-(2-hydroxyethyl)-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrrole-2,5-dione
CID 168560250

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione (CID 168556936) is 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione is O=C1C=C(Nc2cccc3c(=O)c4cccc(-c5ccccc5)c4[nH]c23)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione?
The InChIKey is REUDLQXLLUQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c29-13-12-28-21(30)14-20(25(28)32)26-19-11-5-10-18-23(19)27-22-16(15-6-2-1-3-7-15)8-4-9-17(22)24(18)31/h1-11,14,26,29H,12-13H2,(H,27,31).
What are the key properties of 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione has a molecular weight of 425.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(9-oxo-5-phenyl-10H-acridin-4-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 168556936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).