1-amino-2,4-dihydroxyanthracene-9,10-dione

C14H9NO4 — CID 6682

IUPAC1-amino-2,4-dihydroxyanthracene-9,10-dione
SMILESNc1c(O)cc(O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,16-17H,15H2
InChIKeyQUXBARPXUAPKDG-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.46
Rot. Bonds

About 1-amino-2,4-dihydroxyanthracene-9,10-dione

1-amino-2,4-dihydroxyanthracene-9,10-dione (PubChem CID 6682) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-amino-2,4-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-2,4-dihydroxyanthracene-9,10-dione
PubChem CID6682
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name1-amino-2,4-dihydroxyanthracene-9,10-dione
SMILESNc1c(O)cc(O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,16-17H,15H2
InChIKeyQUXBARPXUAPKDG-UHFFFAOYSA-N
XLogP1.46
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-Amino-4-hydroxyanthraquinone
CID 8323
Disperse Red 60
CID 28531
1,8-Diamino-4,5-dihydroxyanthraquinone
CID 31419
1,5-Diamino-4,8-dihydroxyanthraquinone
CID 67351
Navicet Pink RF
CID 16927
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-phenoxyethoxy)-
CID 87107
Nuclear Fast Red
CID 23677995
Benzenepropanoic acid, 4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-3-methyl-, methyl ester
CID 85441
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(4-hydroxyphenoxy)-
CID 87728
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(3-hydroxybutoxy)-
CID 102955
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(4-methoxyphenoxy)-
CID 104712
9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(6-hydroxyhexyl)oxy]-
CID 118617

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,4-dihydroxyanthracene-9,10-dione?
The IUPAC name of 1-amino-2,4-dihydroxyanthracene-9,10-dione (CID 6682) is 1-amino-2,4-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for 1-amino-2,4-dihydroxyanthracene-9,10-dione?
The canonical SMILES for 1-amino-2,4-dihydroxyanthracene-9,10-dione is Nc1c(O)cc(O)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-2,4-dihydroxyanthracene-9,10-dione?
The InChIKey is QUXBARPXUAPKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,16-17H,15H2.
What are the key properties of 1-amino-2,4-dihydroxyanthracene-9,10-dione?
1-amino-2,4-dihydroxyanthracene-9,10-dione has a molecular weight of 255.23 g/mol, XLogP of 1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,4-dihydroxyanthracene-9,10-dione is sourced from PubChem (CID 6682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).