N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide

C16H18Cl2N2O2S — CID 126738297

IUPACN-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCCCCOc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/C16H18Cl2N2O2S/c17-12-9-13(18)16(15-11(12)5-4-7-20-15)22-8-3-1-2-6-19-14(21)10-23/h4-5,7,9,23H,1-3,6,8,10H2,(H,19,21)
InChIKeyOCOQDWVMQBJASP-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.14
Rot. Bonds8

About N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide

N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide (PubChem CID 126738297) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide
PubChem CID126738297
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC NameN-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCCCCOc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/C16H18Cl2N2O2S/c17-12-9-13(18)16(15-11(12)5-4-7-20-15)22-8-3-1-2-6-19-14(21)10-23/h4-5,7,9,23H,1-3,6,8,10H2,(H,19,21)
InChIKeyOCOQDWVMQBJASP-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide?
The IUPAC name of N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide (CID 126738297) is N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide?
The canonical SMILES for N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide is O=C(CS)NCCCCCOc1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide?
The InChIKey is OCOQDWVMQBJASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c17-12-9-13(18)16(15-11(12)5-4-7-20-15)22-8-3-1-2-6-19-14(21)10-23/h4-5,7,9,23H,1-3,6,8,10H2,(H,19,21).
What are the key properties of N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide?
N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide has a molecular weight of 373.31 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide is sourced from PubChem (CID 126738297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).