3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione

C20H20N2O4 — CID 23072378

IUPAC3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione
SMILESNc1ccccc1N1C(=O)CCCC(O)CC(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O4/c21-16-9-3-4-10-17(16)22-19(25)11-5-6-13(23)12-18(24)14-7-1-2-8-15(14)20(22)26/h1-4,7-10,13,23H,5-6,11-12,21H2
InChIKeyMQOHXMMDJSIQHQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.56
Rot. Bonds1

About 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione

3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione (PubChem CID 23072378) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione.

Molecular Properties

Compound Name3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione
PubChem CID23072378
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione
SMILESNc1ccccc1N1C(=O)CCCC(O)CC(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O4/c21-16-9-3-4-10-17(16)22-19(25)11-5-6-13(23)12-18(24)14-7-1-2-8-15(14)20(22)26/h1-4,7-10,13,23H,5-6,11-12,21H2
InChIKeyMQOHXMMDJSIQHQ-UHFFFAOYSA-N
XLogP2.56
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione 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 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione?
The IUPAC name of 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione (CID 23072378) is 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione.
What is the SMILES notation for 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione?
The canonical SMILES for 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione is Nc1ccccc1N1C(=O)CCCC(O)CC(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione?
The InChIKey is MQOHXMMDJSIQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c21-16-9-3-4-10-17(16)22-19(25)11-5-6-13(23)12-18(24)14-7-1-2-8-15(14)20(22)26/h1-4,7-10,13,23H,5-6,11-12,21H2.
What are the key properties of 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione?
3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione has a molecular weight of 352.39 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione is sourced from PubChem (CID 23072378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).