4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol

C14H14N2O4 — CID 3022337

IUPAC4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol
SMILESNc1ccc(O)c2c1C(O)c1c(O)ccc(N)c1C2O
InChIInChI=1S/C14H14N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,13-14,17-20H,15-16H2
InChIKeyNABHKBGZIKOEJG-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.74
Rot. Bonds

About 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol

4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol (PubChem CID 3022337) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol.

Molecular Properties

Compound Name4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol
PubChem CID3022337
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol
SMILESNc1ccc(O)c2c1C(O)c1c(O)ccc(N)c1C2O
InChIInChI=1S/C14H14N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,13-14,17-20H,15-16H2
InChIKeyNABHKBGZIKOEJG-UHFFFAOYSA-N
XLogP0.74
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.28
LogP ≤ 50.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol?
The IUPAC name of 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol (CID 3022337) is 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol.
What is the SMILES notation for 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol?
The canonical SMILES for 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol is Nc1ccc(O)c2c1C(O)c1c(O)ccc(N)c1C2O.
What is the InChIKey of 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol?
The InChIKey is NABHKBGZIKOEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,13-14,17-20H,15-16H2.
What are the key properties of 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol?
4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol has a molecular weight of 274.28 g/mol, XLogP of 0.74, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol is sourced from PubChem (CID 3022337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).