2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride

C25H36ClN3O2Zn — CID 88751722

IUPAC2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
SMILESCCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)cc3nc2c1.Cl.[Zn]
InChIInChI=1S/C25H35N3O2.ClH.Zn/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;1H;
InChIKeyUGEPVHTZPHTSJG-UHFFFAOYSA-N
MW511.43 g/mol
LogP5.25
Rot. Bonds12

About 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride

2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride (PubChem CID 88751722) has the molecular formula C25H36ClN3O2Zn and a molecular weight of 511.43 g/mol. Its IUPAC name is 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride.

Molecular Properties

Compound Name2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
PubChem CID88751722
Molecular FormulaC25H36ClN3O2Zn
Molecular Weight511.43 g/mol
Exact Mass509.18
IUPAC Name2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
SMILESCCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)cc3nc2c1.Cl.[Zn]
InChIInChI=1S/C25H35N3O2.ClH.Zn/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;1H;
InChIKeyUGEPVHTZPHTSJG-UHFFFAOYSA-N
XLogP5.25
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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;platinum(4+);tetrachloride
CID 173439217
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
N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
CID 20553444
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
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
3-hexoxyacridine
CID 141299786
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
CID 15817632
3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid
CID 22071081
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;zinc;hydrochloride?
The IUPAC name of 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride (CID 88751722) is 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride.
What is the SMILES notation for 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride?
The canonical SMILES for 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride is CCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)cc3nc2c1.Cl.[Zn].
What is the InChIKey of 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride?
The InChIKey is UGEPVHTZPHTSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2.ClH.Zn/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;1H;.
What are the key properties of 2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride?
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride has a molecular weight of 511.43 g/mol, XLogP of 5.25, 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;zinc;hydrochloride is sourced from PubChem (CID 88751722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).