2,3-diamino-1,4-dihydroxyanthracene-9,10-dione

C14H10N2O4 — CID 15840020

IUPAC2,3-diamino-1,4-dihydroxyanthracene-9,10-dione
SMILESNc1c(N)c(O)c2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H10N2O4/c15-9-10(16)14(20)8-7(13(9)19)11(17)5-3-1-2-4-6(5)12(8)18/h1-4,19-20H,15-16H2
InChIKeyMRWJAWZRZYIHHZ-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.04
Rot. Bonds

About 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione

2,3-diamino-1,4-dihydroxyanthracene-9,10-dione (PubChem CID 15840020) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name2,3-diamino-1,4-dihydroxyanthracene-9,10-dione
PubChem CID15840020
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name2,3-diamino-1,4-dihydroxyanthracene-9,10-dione
SMILESNc1c(N)c(O)c2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H10N2O4/c15-9-10(16)14(20)8-7(13(9)19)11(17)5-3-1-2-4-6(5)12(8)18/h1-4,19-20H,15-16H2
InChIKeyMRWJAWZRZYIHHZ-UHFFFAOYSA-N
XLogP1.04
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione?
The IUPAC name of 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione (CID 15840020) is 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione?
The canonical SMILES for 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione is Nc1c(N)c(O)c2c(c1O)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione?
The InChIKey is MRWJAWZRZYIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c15-9-10(16)14(20)8-7(13(9)19)11(17)5-3-1-2-4-6(5)12(8)18/h1-4,19-20H,15-16H2.
What are the key properties of 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione?
2,3-diamino-1,4-dihydroxyanthracene-9,10-dione has a molecular weight of 270.24 g/mol, XLogP of 1.04, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-1,4-dihydroxyanthracene-9,10-dione is sourced from PubChem (CID 15840020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).