4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline

C15H11N3O2 — CID 10563622

IUPAC4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline
SMILESNc1ccc(-c2nncc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C15H11N3O2/c16-11-3-1-9(2-4-11)15-12-6-14-13(19-8-20-14)5-10(12)7-17-18-15/h1-7H,8,16H2
InChIKeyALHHEEUXTSHPNA-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.61
Rot. Bonds1

About 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline

4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline (PubChem CID 10563622) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline.

Molecular Properties

Compound Name4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline
PubChem CID10563622
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline
SMILESNc1ccc(-c2nncc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C15H11N3O2/c16-11-3-1-9(2-4-11)15-12-6-14-13(19-8-20-14)5-10(12)7-17-18-15/h1-7H,8,16H2
InChIKeyALHHEEUXTSHPNA-UHFFFAOYSA-N
XLogP2.61
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline 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 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline?
The IUPAC name of 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline (CID 10563622) is 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline.
What is the SMILES notation for 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline?
The canonical SMILES for 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline is Nc1ccc(-c2nncc3cc4c(cc23)OCO4)cc1.
What is the InChIKey of 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline?
The InChIKey is ALHHEEUXTSHPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-11-3-1-9(2-4-11)15-12-6-14-13(19-8-20-14)5-10(12)7-17-18-15/h1-7H,8,16H2.
What are the key properties of 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline?
4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline has a molecular weight of 265.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline is sourced from PubChem (CID 10563622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).