5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol

C18H22N4O4 — CID 91623335

IUPAC5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol
SMILESNCCNc1ccc(NCCN)c2c(O)c3c(O)ccc(O)c3c(O)c12
InChIInChI=1S/C18H22N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-26H,5-8,19-20H2
InChIKeyOOGBXCBDTPMZAM-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.56
Rot. Bonds6

About 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol

5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol (PubChem CID 91623335) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol.

Molecular Properties

Compound Name5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol
PubChem CID91623335
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol
SMILESNCCNc1ccc(NCCN)c2c(O)c3c(O)ccc(O)c3c(O)c12
InChIInChI=1S/C18H22N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-26H,5-8,19-20H2
InChIKeyOOGBXCBDTPMZAM-UHFFFAOYSA-N
XLogP1.56
TPSA157.02 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 51.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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(2-aminoethylamino)anthracene-1,4,9,10-tetrol?
The IUPAC name of 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol (CID 91623335) is 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol.
What is the SMILES notation for 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol?
The canonical SMILES for 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol is NCCNc1ccc(NCCN)c2c(O)c3c(O)ccc(O)c3c(O)c12.
What is the InChIKey of 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol?
The InChIKey is OOGBXCBDTPMZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-26H,5-8,19-20H2.
What are the key properties of 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol?
5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol has a molecular weight of 358.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol is sourced from PubChem (CID 91623335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).