2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride

C25H35Cl4N3O2Pt — CID 173439217

IUPAC2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
SMILESCCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)cc3nc2c1.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/C25H35N3O2.4ClH.Pt/c1-5-27(6-2)13-15-29-22-11-9-20-17-21-10-12-23(19-25(21)26-24(20)18-22)30-16-14-28(7-3)8-4;;;;;/h9-12,17-19H,5-8,13-16H2,1-4H3;4*1H;/q;;;;;+4/p-4
InChIKeyXUDKXTZXWUORJE-UHFFFAOYSA-J
MW746.46 g/mol
LogP-7.16
Rot. Bonds12

About 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride

2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride (PubChem CID 173439217) has the molecular formula C25H35Cl4N3O2Pt and a molecular weight of 746.46 g/mol. Its IUPAC name is 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride.

Molecular Properties

Compound Name2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
PubChem CID173439217
Molecular FormulaC25H35Cl4N3O2Pt
Molecular Weight746.46 g/mol
Exact Mass744.11
IUPAC Name2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
SMILESCCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)cc3nc2c1.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/C25H35N3O2.4ClH.Pt/c1-5-27(6-2)13-15-29-22-11-9-20-17-21-10-12-23(19-25(21)26-24(20)18-22)30-16-14-28(7-3)8-4;;;;;/h9-12,17-19H,5-8,13-16H2,1-4H3;4*1H;/q;;;;;+4/p-4
InChIKeyXUDKXTZXWUORJE-UHFFFAOYSA-J
XLogP-7.16
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500746.46
LogP ≤ 5-7.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
CID 88751722
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
CID 88785633
N,N-diethyl-2-(2-phenylquinolin-7-yl)oxyethanamine
CID 154372459
3-hexoxyacridine
CID 141299786
N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
CID 20553444
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
CID 15817632
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid
CID 22071081
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
N-methyl-3-[6-[3-(methylamino)propoxy]acridin-3-yl]oxypropan-1-amine;hydrate;hydrochloride
CID 45260080
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride?
The IUPAC name of 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride (CID 173439217) is 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride.
What is the SMILES notation for 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride?
The canonical SMILES for 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride is CCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)cc3nc2c1.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+4].
What is the InChIKey of 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride?
The InChIKey is XUDKXTZXWUORJE-UHFFFAOYSA-J. The full InChI is InChI=1S/C25H35N3O2.4ClH.Pt/c1-5-27(6-2)13-15-29-22-11-9-20-17-21-10-12-23(19-25(21)26-24(20)18-22)30-16-14-28(7-3)8-4;;;;;/h9-12,17-19H,5-8,13-16H2,1-4H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride?
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride has a molecular weight of 746.46 g/mol, XLogP of -7.16, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride is sourced from PubChem (CID 173439217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).