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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Related Compounds

1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium
CID 44826255
1-[[3-(4-aminobutylamino)-2-hydroxypropyl]amino]anthracene-9,10-dione
CID 71475397
2-(4-aminobutylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 90644039
1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;ethane
CID 171638845
6-chloro-1-(propylamino)anthracene-9,10-dione
CID 21419216
1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride
CID 54609805
3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea
CID 10624385
1-[3-[3-[3-[3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]imidazolidin-1-yl]propyl]imidazolidin-1-yl]propylamino]anthracene-9,10-dione
CID 20579889
1-(2,2,2-trifluoroethylamino)anthracene-9,10-dione
CID 154105166
3-[[9,10-dioxo-5-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006737
1,2-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
CID 56618724
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 102155792

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).