2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride

C21H30Cl3N3O4 — CID 20553469

IUPAC2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride
SMILESCl.Cl.Cl.OCCNCCOc1ccc2cc3ccc(OCCNCCO)cc3nc2c1
InChIInChI=1S/C21H27N3O4.3ClH/c25-9-5-22-7-11-27-18-3-1-16-13-17-2-4-19(28-12-8-23-6-10-26)15-21(17)24-20(16)14-18;;;/h1-4,13-15,22-23,25-26H,5-12H2;3*1H
InChIKeyAHPUXZHXYVKDQI-UHFFFAOYSA-N
MW494.85 g/mol
LogP2.57
Rot. Bonds12

About 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride

2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride (PubChem CID 20553469) has the molecular formula C21H30Cl3N3O4 and a molecular weight of 494.85 g/mol. Its IUPAC name is 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride.

Molecular Properties

Compound Name2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride
PubChem CID20553469
Molecular FormulaC21H30Cl3N3O4
Molecular Weight494.85 g/mol
Exact Mass493.13
IUPAC Name2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride
SMILESCl.Cl.Cl.OCCNCCOc1ccc2cc3ccc(OCCNCCO)cc3nc2c1
InChIInChI=1S/C21H27N3O4.3ClH/c25-9-5-22-7-11-27-18-3-1-16-13-17-2-4-19(28-12-8-23-6-10-26)15-21(17)24-20(16)14-18;;;/h1-4,13-15,22-23,25-26H,5-12H2;3*1H
InChIKeyAHPUXZHXYVKDQI-UHFFFAOYSA-N
XLogP2.57
TPSA95.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.85
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
CID 20553444
N-methyl-3-[6-[3-(methylamino)propoxy]acridin-3-yl]oxypropan-1-amine;hydrate;hydrochloride
CID 45260080
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
CID 88751722
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
CID 88785633
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
3-hexoxyacridine
CID 141299786

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride?
The IUPAC name of 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride (CID 20553469) is 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride.
What is the SMILES notation for 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride?
The canonical SMILES for 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride is Cl.Cl.Cl.OCCNCCOc1ccc2cc3ccc(OCCNCCO)cc3nc2c1.
What is the InChIKey of 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride?
The InChIKey is AHPUXZHXYVKDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.3ClH/c25-9-5-22-7-11-27-18-3-1-16-13-17-2-4-19(28-12-8-23-6-10-26)15-21(17)24-20(16)14-18;;;/h1-4,13-15,22-23,25-26H,5-12H2;3*1H.
What are the key properties of 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride?
2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride has a molecular weight of 494.85 g/mol, XLogP of 2.57, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride is sourced from PubChem (CID 20553469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).