1-amino-4-anilinoanthracene-9,10-dione

C20H14N2O2 — CID 20419

IUPAC1-amino-4-anilinoanthracene-9,10-dione
SMILESNc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H14N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h1-11,22H,21H2
InChIKeyXUDJOVURIXHNRW-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.79
Rot. Bonds2

About 1-amino-4-anilinoanthracene-9,10-dione

1-amino-4-anilinoanthracene-9,10-dione (PubChem CID 20419) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-amino-4-anilinoanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-4-anilinoanthracene-9,10-dione
PubChem CID20419
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name1-amino-4-anilinoanthracene-9,10-dione
SMILESNc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H14N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h1-11,22H,21H2
InChIKeyXUDJOVURIXHNRW-UHFFFAOYSA-N
XLogP3.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-anilinoanthracene-9,10-dione?
The IUPAC name of 1-amino-4-anilinoanthracene-9,10-dione (CID 20419) is 1-amino-4-anilinoanthracene-9,10-dione.
What is the SMILES notation for 1-amino-4-anilinoanthracene-9,10-dione?
The canonical SMILES for 1-amino-4-anilinoanthracene-9,10-dione is Nc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-4-anilinoanthracene-9,10-dione?
The InChIKey is XUDJOVURIXHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h1-11,22H,21H2.
What are the key properties of 1-amino-4-anilinoanthracene-9,10-dione?
1-amino-4-anilinoanthracene-9,10-dione has a molecular weight of 314.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-anilinoanthracene-9,10-dione is sourced from PubChem (CID 20419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).