ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate

C17H20N2O4S — CID 3168833

IUPACethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C17H20N2O4S/c1-4-23-17(21)9-18-16(20)10-24-15-7-11(2)19-14-6-5-12(22-3)8-13(14)15/h5-8H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyFDBVHNMUHVYSHA-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.32
Rot. Bonds7

About ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate

ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate (PubChem CID 3168833) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate
PubChem CID3168833
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C17H20N2O4S/c1-4-23-17(21)9-18-16(20)10-24-15-7-11(2)19-14-6-5-12(22-3)8-13(14)15/h5-8H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyFDBVHNMUHVYSHA-UHFFFAOYSA-N
XLogP2.32
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate with MolForge

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Related Compounds

propan-2-yl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
CID 864465
N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 3168482
N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide
CID 3168483
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130754
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 136791930
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 135468605
4-[[1-carboxy-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylethyl]amino]-4-oxobutanoic acid
CID 22109432
(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-(6-methoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid
CID 42536978
2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
CID 42537952
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]acetate
CID 647473
(2S)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylbutanedioic acid
CID 40900142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate (CID 3168833) is ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1cc(C)nc2ccc(OC)cc12.
What is the InChIKey of ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate?
The InChIKey is FDBVHNMUHVYSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-23-17(21)9-18-16(20)10-24-15-7-11(2)19-14-6-5-12(22-3)8-13(14)15/h5-8H,4,9-10H2,1-3H3,(H,18,20).
What are the key properties of ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate?
ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate has a molecular weight of 348.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate is sourced from PubChem (CID 3168833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).