1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione

C18H17NO5 — CID 135183207

IUPAC1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(NCCOCCO)ccc(O)c21
InChIInChI=1S/C18H17NO5/c20-8-10-24-9-7-19-13-5-6-14(21)16-15(13)17(22)11-3-1-2-4-12(11)18(16)23/h1-6,19-21H,7-10H2
InChIKeySXGWPEXFWBUDHE-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.59
Rot. Bonds6

About 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione

1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione (PubChem CID 135183207) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
PubChem CID135183207
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(NCCOCCO)ccc(O)c21
InChIInChI=1S/C18H17NO5/c20-8-10-24-9-7-19-13-5-6-14(21)16-15(13)17(22)11-3-1-2-4-12(11)18(16)23/h1-6,19-21H,7-10H2
InChIKeySXGWPEXFWBUDHE-UHFFFAOYSA-N
XLogP1.59
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione
CID 54531479
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]butanamide
CID 71188680
1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;ethane
CID 171638845
1-(2,2-difluoropropylamino)-4-hydroxyanthracene-9,10-dione
CID 154257924
1-(2,2-diethoxyethylamino)-4-hydroxyanthracene-9,10-dione
CID 10247608
1-(2,3-dihydroxypropylamino)-4-(2-hydroxyethylamino)anthracene-9,10-dione
CID 19751123
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]-2-pyridin-1-ium-1-ylacetamide
CID 169006741
1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride
CID 54609805
1-hydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-4-(2-propoxyethyl)anthracene-9,10-dione
CID 139659299
1,4-dihydroxy-5-[2-(2-hydroxyethylamino)ethylamino]-8-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione
CID 143270488
2-[[4,8-dihydroxy-9,10-dioxo-5-(2-prop-2-enoyloxyethylamino)anthracen-1-yl]amino]ethyl prop-2-enoate
CID 54442571
1,5-dihydroxy-4,8-bis[2-(methylamino)ethylamino]anthracene-9,10-dione
CID 54278326

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione?
The IUPAC name of 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione (CID 135183207) is 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(NCCOCCO)ccc(O)c21.
What is the InChIKey of 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione?
The InChIKey is SXGWPEXFWBUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c20-8-10-24-9-7-19-13-5-6-14(21)16-15(13)17(22)11-3-1-2-4-12(11)18(16)23/h1-6,19-21H,7-10H2.
What are the key properties of 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione?
1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione has a molecular weight of 327.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione is sourced from PubChem (CID 135183207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).