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

C15H18ClN3O2 — CID 119505408

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O2/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)
InChIKeyISCSKXWHOBWXCK-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.99
Rot. Bonds7

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

2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide (PubChem CID 119505408) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
PubChem CID119505408
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O2/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)
InChIKeyISCSKXWHOBWXCK-UHFFFAOYSA-N
XLogP1.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.99
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;dihydrochloride
CID 119505407
2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 51172402
2-(5-chloroquinolin-8-yl)oxy-N-[3-(methylamino)propyl]acetamide;dihydrochloride
CID 119430250
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-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
2-(5-chloroquinolin-8-yl)oxy-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002595

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide (CID 119505408) is 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide is CCNCCNC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide?
The InChIKey is ISCSKXWHOBWXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/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).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide has a molecular weight of 307.78 g/mol, XLogP of 1.99, 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 is sourced from PubChem (CID 119505408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).