5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol

C24H34N4O6 — CID 14501078

IUPAC5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol
SMILESOCCNCCCNc1ccc(NCCCNCCO)c2c(O)c3c(O)ccc(O)c3c(O)c12
InChIInChI=1S/C24H34N4O6/c29-13-11-25-7-1-9-27-15-3-4-16(28-10-2-8-26-12-14-30)20-19(15)23(33)21-17(31)5-6-18(32)22(21)24(20)34/h3-6,25-34H,1-2,7-14H2
InChIKeyRXIAQKXHATYZSF-UHFFFAOYSA-N
MW474.56 g/mol
LogP1.58
Rot. Bonds14

About 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol

5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol (PubChem CID 14501078) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol.

Molecular Properties

Compound Name5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol
PubChem CID14501078
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Name5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol
SMILESOCCNCCCNc1ccc(NCCCNCCO)c2c(O)c3c(O)ccc(O)c3c(O)c12
InChIInChI=1S/C24H34N4O6/c29-13-11-25-7-1-9-27-15-3-4-16(28-10-2-8-26-12-14-30)20-19(15)23(33)21-17(31)5-6-18(32)22(21)24(20)34/h3-6,25-34H,1-2,7-14H2
InChIKeyRXIAQKXHATYZSF-UHFFFAOYSA-N
XLogP1.58
TPSA169.50 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 51.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol?
The IUPAC name of 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol (CID 14501078) is 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol.
What is the SMILES notation for 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol?
The canonical SMILES for 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol is OCCNCCCNc1ccc(NCCCNCCO)c2c(O)c3c(O)ccc(O)c3c(O)c12.
What is the InChIKey of 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol?
The InChIKey is RXIAQKXHATYZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6/c29-13-11-25-7-1-9-27-15-3-4-16(28-10-2-8-26-12-14-30)20-19(15)23(33)21-17(31)5-6-18(32)22(21)24(20)34/h3-6,25-34H,1-2,7-14H2.
What are the key properties of 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol?
5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol has a molecular weight of 474.56 g/mol, XLogP of 1.58, 14 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[3-(2-hydroxyethylamino)propylamino]anthracene-1,4,9,10-tetrol is sourced from PubChem (CID 14501078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).