2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide

C16H19ClN2O3 — CID 51172402

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H19ClN2O3/c1-2-21-10-4-9-18-15(20)11-22-14-7-6-13(17)12-5-3-8-19-16(12)14/h3,5-8H,2,4,9-11H2,1H3,(H,18,20)
InChIKeyJVULMCHTCSHCAA-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.81
Rot. Bonds8

About 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide

2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide (PubChem CID 51172402) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
PubChem CID51172402
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H19ClN2O3/c1-2-21-10-4-9-18-15(20)11-22-14-7-6-13(17)12-5-3-8-19-16(12)14/h3,5-8H,2,4,9-11H2,1H3,(H,18,20)
InChIKeyJVULMCHTCSHCAA-UHFFFAOYSA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide (CID 51172402) is 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide?
The InChIKey is JVULMCHTCSHCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-2-21-10-4-9-18-15(20)11-22-14-7-6-13(17)12-5-3-8-19-16(12)14/h3,5-8H,2,4,9-11H2,1H3,(H,18,20).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide has a molecular weight of 322.79 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 51172402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).