2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride

C15H20Cl3N3O2 — CID 119505407

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
SMILESCCNCCNC(=O)COc1ccc(Cl)c2cccnc12.Cl.Cl
InChIInChI=1S/C15H18ClN3O2.2ClH/c1-2-17-8-9-18-14(20)10-21-13-6-5-12(16)11-4-3-7-19-15(11)13;;/h3-7,17H,2,8-10H2,1H3,(H,18,20);2*1H
InChIKeyYAEROJDJDMPKCM-UHFFFAOYSA-N
MW380.70 g/mol
LogP2.84
Rot. Bonds7

About 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride

2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride (PubChem CID 119505407) has the molecular formula C15H20Cl3N3O2 and a molecular weight of 380.70 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
PubChem CID119505407
Molecular FormulaC15H20Cl3N3O2
Molecular Weight380.70 g/mol
Exact Mass379.06
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
SMILESCCNCCNC(=O)COc1ccc(Cl)c2cccnc12.Cl.Cl
InChIInChI=1S/C15H18ClN3O2.2ClH/c1-2-17-8-9-18-14(20)10-21-13-6-5-12(16)11-4-3-7-19-15(11)13;;/h3-7,17H,2,8-10H2,1H3,(H,18,20);2*1H
InChIKeyYAEROJDJDMPKCM-UHFFFAOYSA-N
XLogP2.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.70
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-(5-chloroquinolin-8-yl)oxy-N-[3-(methylamino)propyl]acetamide;dihydrochloride
CID 119430250
2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 51172402
2-(5-chloroquinolin-8-yl)oxy-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9330887
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504659
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride (CID 119505407) is 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride is CCNCCNC(=O)COc1ccc(Cl)c2cccnc12.Cl.Cl.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride?
The InChIKey is YAEROJDJDMPKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2.2ClH/c1-2-17-8-9-18-14(20)10-21-13-6-5-12(16)11-4-3-7-19-15(11)13;;/h3-7,17H,2,8-10H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride?
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride has a molecular weight of 380.70 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119505407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).