2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide

C12H11ClN2O2 — CID 973403

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C12H11ClN2O2/c1-14-11(16)7-17-10-5-4-9(13)8-3-2-6-15-12(8)10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyRDSSUBFASYCVIK-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.01
Rot. Bonds3

About 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide

2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide (PubChem CID 973403) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
PubChem CID973403
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C12H11ClN2O2/c1-14-11(16)7-17-10-5-4-9(13)8-3-2-6-15-12(8)10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyRDSSUBFASYCVIK-UHFFFAOYSA-N
XLogP2.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide (CID 973403) is 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide is CNC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide?
The InChIKey is RDSSUBFASYCVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-14-11(16)7-17-10-5-4-9(13)8-3-2-6-15-12(8)10/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide?
2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide has a molecular weight of 250.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide is sourced from PubChem (CID 973403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).