5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol

C18H21N3O5 — CID 91623333

IUPAC5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol
SMILESNc1ccc(NCCNCCO)c2c(O)c3c(O)ccc(O)c3c(O)c12
InChIInChI=1S/C18H21N3O5/c19-9-1-2-10(21-6-5-20-7-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,20-26H,5-8,19H2
InChIKeyMZHANDGFEYQOAY-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.39
Rot. Bonds6

About 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol

5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol (PubChem CID 91623333) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol.

Molecular Properties

Compound Name5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol
PubChem CID91623333
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol
SMILESNc1ccc(NCCNCCO)c2c(O)c3c(O)ccc(O)c3c(O)c12
InChIInChI=1S/C18H21N3O5/c19-9-1-2-10(21-6-5-20-7-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,20-26H,5-8,19H2
InChIKeyMZHANDGFEYQOAY-UHFFFAOYSA-N
XLogP1.39
TPSA151.23 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 51.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol?
The IUPAC name of 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol (CID 91623333) is 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol.
What is the SMILES notation for 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol?
The canonical SMILES for 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol is Nc1ccc(NCCNCCO)c2c(O)c3c(O)ccc(O)c3c(O)c12.
What is the InChIKey of 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol?
The InChIKey is MZHANDGFEYQOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c19-9-1-2-10(21-6-5-20-7-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,20-26H,5-8,19H2.
What are the key properties of 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol?
5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol has a molecular weight of 359.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-1,4,9,10-tetrol is sourced from PubChem (CID 91623333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).