8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride

C14H16ClNO4S — CID 65176470

IUPAC8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride
SMILESCCOCCCOc1ccc(S(=O)(=O)Cl)c2cccnc12
InChIInChI=1S/C14H16ClNO4S/c1-2-19-9-4-10-20-12-6-7-13(21(15,17)18)11-5-3-8-16-14(11)12/h3,5-8H,2,4,9-10H2,1H3
InChIKeyCHPVQNAKJPTQJY-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.97
Rot. Bonds7

About 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride

8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride (PubChem CID 65176470) has the molecular formula C14H16ClNO4S and a molecular weight of 329.81 g/mol. Its IUPAC name is 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride
PubChem CID65176470
Molecular FormulaC14H16ClNO4S
Molecular Weight329.81 g/mol
Exact Mass329.05
IUPAC Name8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride
SMILESCCOCCCOc1ccc(S(=O)(=O)Cl)c2cccnc12
InChIInChI=1S/C14H16ClNO4S/c1-2-19-9-4-10-20-12-6-7-13(21(15,17)18)11-5-3-8-16-14(11)12/h3,5-8H,2,4,9-10H2,1H3
InChIKeyCHPVQNAKJPTQJY-UHFFFAOYSA-N
XLogP2.97
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride?
The IUPAC name of 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride (CID 65176470) is 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride.
What is the SMILES notation for 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride?
The canonical SMILES for 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride is CCOCCCOc1ccc(S(=O)(=O)Cl)c2cccnc12.
What is the InChIKey of 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride?
The InChIKey is CHPVQNAKJPTQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S/c1-2-19-9-4-10-20-12-6-7-13(21(15,17)18)11-5-3-8-16-14(11)12/h3,5-8H,2,4,9-10H2,1H3.
What are the key properties of 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride?
8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride has a molecular weight of 329.81 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride is sourced from PubChem (CID 65176470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).