5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride

C12H11ClN2O4S — CID 103044651

IUPAC5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride
SMILESCNC(=O)COc1ccc(S(=O)(=O)Cl)c2ncccc12
InChIInChI=1S/C12H11ClN2O4S/c1-14-11(16)7-19-9-4-5-10(20(13,17)18)12-8(9)3-2-6-15-12/h2-6H,7H2,1H3,(H,14,16)
InChIKeyPCQAPPPRDXPFGX-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.29
Rot. Bonds4

About 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride

5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride (PubChem CID 103044651) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride
PubChem CID103044651
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride
SMILESCNC(=O)COc1ccc(S(=O)(=O)Cl)c2ncccc12
InChIInChI=1S/C12H11ClN2O4S/c1-14-11(16)7-19-9-4-5-10(20(13,17)18)12-8(9)3-2-6-15-12/h2-6H,7H2,1H3,(H,14,16)
InChIKeyPCQAPPPRDXPFGX-UHFFFAOYSA-N
XLogP1.29
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
CID 103044656
5-but-2-ynoxyquinoline-8-sulfonyl chloride
CID 103044649
5-(2-methylidenebutoxy)quinoline-8-sulfonamide
CID 103045360
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
3-(5-chlorosulfonylquinolin-8-yl)oxypropanoic acid
CID 43115657
8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride
CID 65176470
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82911048
8-propan-2-yloxyquinoline-5-sulfonyl chloride
CID 43115660
5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride
CID 103044607
2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide
CID 116524797
8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride
CID 82910374

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride?
The IUPAC name of 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride (CID 103044651) is 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride.
What is the SMILES notation for 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride?
The canonical SMILES for 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride is CNC(=O)COc1ccc(S(=O)(=O)Cl)c2ncccc12.
What is the InChIKey of 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride?
The InChIKey is PCQAPPPRDXPFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c1-14-11(16)7-19-9-4-5-10(20(13,17)18)12-8(9)3-2-6-15-12/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride?
5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride has a molecular weight of 314.75 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride is sourced from PubChem (CID 103044651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).