1,4,5,8-tetraaminoanthracene-9,10-dione

C14H12N4O2 — CID 17190

IUPAC1,4,5,8-tetraaminoanthracene-9,10-dione
SMILESNc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O
InChIInChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2
InChIKeyJSFUMBWFPQSADC-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.79
Rot. Bonds

About 1,4,5,8-tetraaminoanthracene-9,10-dione

1,4,5,8-tetraaminoanthracene-9,10-dione (PubChem CID 17190) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1,4,5,8-tetraaminoanthracene-9,10-dione.

Molecular Properties

Compound Name1,4,5,8-tetraaminoanthracene-9,10-dione
PubChem CID17190
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name1,4,5,8-tetraaminoanthracene-9,10-dione
SMILESNc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O
InChIInChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2
InChIKeyJSFUMBWFPQSADC-UHFFFAOYSA-N
XLogP0.79
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 1,4,5,8-tetraaminoanthracene-9,10-dione?
The IUPAC name of 1,4,5,8-tetraaminoanthracene-9,10-dione (CID 17190) is 1,4,5,8-tetraaminoanthracene-9,10-dione.
What is the SMILES notation for 1,4,5,8-tetraaminoanthracene-9,10-dione?
The canonical SMILES for 1,4,5,8-tetraaminoanthracene-9,10-dione is Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O.
What is the InChIKey of 1,4,5,8-tetraaminoanthracene-9,10-dione?
The InChIKey is JSFUMBWFPQSADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2.
What are the key properties of 1,4,5,8-tetraaminoanthracene-9,10-dione?
1,4,5,8-tetraaminoanthracene-9,10-dione has a molecular weight of 268.28 g/mol, XLogP of 0.79, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetraaminoanthracene-9,10-dione is sourced from PubChem (CID 17190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).