1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride

C18H19Cl2N3O2Pt — CID 3076422

IUPAC1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride
SMILESNCCNCCNc1cccc2c1C(=O)c1ccccc1C2=O.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C18H19N3O2.2ClH.Pt/c19-8-9-20-10-11-21-15-7-3-6-14-16(15)18(23)13-5-2-1-4-12(13)17(14)22;;;/h1-7,20-21H,8-11,19H2;2*1H;/q;;;+2/p-2
InChIKeyAEYMQJCSZZIUDN-UHFFFAOYSA-L
MW575.35 g/mol
LogP-4.57
Rot. Bonds6

About 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride

1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride (PubChem CID 3076422) has the molecular formula C18H19Cl2N3O2Pt and a molecular weight of 575.35 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride
PubChem CID3076422
Molecular FormulaC18H19Cl2N3O2Pt
Molecular Weight575.35 g/mol
Exact Mass574.05
IUPAC Name1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride
SMILESNCCNCCNc1cccc2c1C(=O)c1ccccc1C2=O.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C18H19N3O2.2ClH.Pt/c19-8-9-20-10-11-21-15-7-3-6-14-16(15)18(23)13-5-2-1-4-12(13)17(14)22;;;/h1-7,20-21H,8-11,19H2;2*1H;/q;;;+2/p-2
InChIKeyAEYMQJCSZZIUDN-UHFFFAOYSA-L
XLogP-4.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.35
LogP ≤ 5-4.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride?
The IUPAC name of 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride (CID 3076422) is 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride is NCCNCCNc1cccc2c1C(=O)c1ccccc1C2=O.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride?
The InChIKey is AEYMQJCSZZIUDN-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H19N3O2.2ClH.Pt/c19-8-9-20-10-11-21-15-7-3-6-14-16(15)18(23)13-5-2-1-4-12(13)17(14)22;;;/h1-7,20-21H,8-11,19H2;2*1H;/q;;;+2/p-2.
What are the key properties of 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride?
1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride has a molecular weight of 575.35 g/mol, XLogP of -4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride is sourced from PubChem (CID 3076422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).