1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione

C19H19NO4 — CID 20695780

IUPAC1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione
SMILESCCCCCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H19NO4/c1-2-3-6-9-24-14-10-13(21)15-16(17(14)20)19(23)12-8-5-4-7-11(12)18(15)22/h4-5,7-8,10,21H,2-3,6,9,20H2,1H3
InChIKeyMMZZCPFWVIVEGM-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.32
Rot. Bonds5

About 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione

1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione (PubChem CID 20695780) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione
PubChem CID20695780
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione
SMILESCCCCCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H19NO4/c1-2-3-6-9-24-14-10-13(21)15-16(17(14)20)19(23)12-8-5-4-7-11(12)18(15)22/h4-5,7-8,10,21H,2-3,6,9,20H2,1H3
InChIKeyMMZZCPFWVIVEGM-UHFFFAOYSA-N
XLogP3.32
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-decoxy-4-hydroxyanthracene-9,10-dione
CID 90068747
1-amino-4-hydroxy-2-[2-(2-methylphenoxy)ethoxy]anthracene-9,10-dione
CID 21423399
1-amino-4-hydroxy-2-(2-hydroxypropoxy)anthracene-9,10-dione
CID 57184138
4-decoxy-1,2-dihydroxyanthracene-9,10-dione
CID 134215182
1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione
CID 23521870
4-[(4-amino-3-dodecoxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonic acid
CID 3019955
4-[4-(3,4-dihydroxy-9,10-dioxoanthracen-1-yl)oxybutoxy]-1,2-dihydroxyanthracene-9,10-dione
CID 53241264
1-amino-7-chloro-4-hydroxy-2-(2-phenylethoxy)anthracene-9,10-dione
CID 57038615
1-amino-4-hydroxy-2-(3-methylphenoxy)anthracene-9,10-dione
CID 19089713
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
1-amino-4-hydroxy-2-(4-propan-2-ylphenoxy)anthracene-9,10-dione;ethane
CID 157277200
1-(4-chlorobutoxy)-4-hydroxyanthracene-9,10-dione
CID 54131296

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione?
The IUPAC name of 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione (CID 20695780) is 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione.
What is the SMILES notation for 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione?
The canonical SMILES for 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione is CCCCCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione?
The InChIKey is MMZZCPFWVIVEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-3-6-9-24-14-10-13(21)15-16(17(14)20)19(23)12-8-5-4-7-11(12)18(15)22/h4-5,7-8,10,21H,2-3,6,9,20H2,1H3.
What are the key properties of 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione?
1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione has a molecular weight of 325.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione is sourced from PubChem (CID 20695780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).