2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate

C22H25N3O4S — CID 22204194

IUPAC2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H25N3O4S/c1-3-25(4-2)15-16-29-22(26)18-10-12-19(13-11-18)24-30(27,28)20-9-5-7-17-8-6-14-23-21(17)20/h5-14,24H,3-4,15-16H2,1-2H3
InChIKeyWDRQPMAKSCUMGN-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.53
Rot. Bonds9

About 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate

2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate (PubChem CID 22204194) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
PubChem CID22204194
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H25N3O4S/c1-3-25(4-2)15-16-29-22(26)18-10-12-19(13-11-18)24-30(27,28)20-9-5-7-17-8-6-14-23-21(17)20/h5-14,24H,3-4,15-16H2,1-2H3
InChIKeyWDRQPMAKSCUMGN-UHFFFAOYSA-N
XLogP3.53
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 22204206
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
2-(diethylamino)ethyl 4-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]benzoate
CID 22204210
cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 7573617
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
ethyl 3-[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]benzoate
CID 59635188
N-[4-[4-[[2-(dimethylamino)ethyl-ethylamino]methyl]phenyl]phenyl]quinoline-8-sulfonamide;2,2,2-trifluoroacetic acid
CID 44530292
N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
CID 146582525
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-ethyl-N-[3-hydroxy-3-[3-(trifluoromethoxy)phenyl]butyl]-4-(quinolin-8-ylsulfonylamino)benzamide
CID 123652352
N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
CID 170396328

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate (CID 22204194) is 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate is CCN(CC)CCOC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate?
The InChIKey is WDRQPMAKSCUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-3-25(4-2)15-16-29-22(26)18-10-12-19(13-11-18)24-30(27,28)20-9-5-7-17-8-6-14-23-21(17)20/h5-14,24H,3-4,15-16H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate?
2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate has a molecular weight of 427.53 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate is sourced from PubChem (CID 22204194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).