1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione

C24H28N4O6 — CID 15585624

IUPAC1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione
SMILESO=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCOC3)ccc(NCCN3CCOC3)c21
InChIInChI=1S/C24H28N4O6/c29-17-3-4-18(30)22-21(17)23(31)19-15(25-5-7-27-9-11-33-13-27)1-2-16(20(19)24(22)32)26-6-8-28-10-12-34-14-28/h1-4,25-26,29-30H,5-14H2
InChIKeyIGCZIQBVQVLKKZ-UHFFFAOYSA-N
MW468.51 g/mol
LogP1.28
Rot. Bonds8

About 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione

1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione (PubChem CID 15585624) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione.

Molecular Properties

Compound Name1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione
PubChem CID15585624
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione
SMILESO=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCOC3)ccc(NCCN3CCOC3)c21
InChIInChI=1S/C24H28N4O6/c29-17-3-4-18(30)22-21(17)23(31)19-15(25-5-7-27-9-11-33-13-27)1-2-16(20(19)24(22)32)26-6-8-28-10-12-34-14-28/h1-4,25-26,29-30H,5-14H2
InChIKeyIGCZIQBVQVLKKZ-UHFFFAOYSA-N
XLogP1.28
TPSA123.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione?
The IUPAC name of 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione (CID 15585624) is 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione.
What is the SMILES notation for 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione?
The canonical SMILES for 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione is O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCOC3)ccc(NCCN3CCOC3)c21.
What is the InChIKey of 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione?
The InChIKey is IGCZIQBVQVLKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c29-17-3-4-18(30)22-21(17)23(31)19-15(25-5-7-27-9-11-33-13-27)1-2-16(20(19)24(22)32)26-6-8-28-10-12-34-14-28/h1-4,25-26,29-30H,5-14H2.
What are the key properties of 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione?
1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione has a molecular weight of 468.51 g/mol, XLogP of 1.28, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione is sourced from PubChem (CID 15585624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).