2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate

C14H14NO2S- — CID 7383523

IUPAC2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate
SMILESCCc1cc2cccc(C)c2nc1SCC(=O)[O-]
InChIInChI=1S/C14H15NO2S/c1-3-10-7-11-6-4-5-9(2)13(11)15-14(10)18-8-12(16)17/h4-7H,3,8H2,1-2H3,(H,16,17)/p-1
InChIKeyDQFDILJIKIXOGQ-UHFFFAOYSA-M
MW260.34 g/mol
LogP1.95
Rot. Bonds4

About 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate

2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate (PubChem CID 7383523) has the molecular formula C14H14NO2S- and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate
PubChem CID7383523
Molecular FormulaC14H14NO2S-
Molecular Weight260.34 g/mol
Exact Mass260.08
IUPAC Name2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate
SMILESCCc1cc2cccc(C)c2nc1SCC(=O)[O-]
InChIInChI=1S/C14H15NO2S/c1-3-10-7-11-6-4-5-9(2)13(11)15-14(10)18-8-12(16)17/h4-7H,3,8H2,1-2H3,(H,16,17)/p-1
InChIKeyDQFDILJIKIXOGQ-UHFFFAOYSA-M
XLogP1.95
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
CID 855595
2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3207972
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 3867369
ethyl 2-[[2-(3,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]acetate
CID 3189717
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649
N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide
CID 860700
N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 3208186
ethyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374548
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 857646
ethyl 2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetate
CID 862895
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylquinoline-3-carbonitrile
CID 3207674

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate?
The IUPAC name of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate (CID 7383523) is 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate.
What is the SMILES notation for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate?
The canonical SMILES for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate is CCc1cc2cccc(C)c2nc1SCC(=O)[O-].
What is the InChIKey of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate?
The InChIKey is DQFDILJIKIXOGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15NO2S/c1-3-10-7-11-6-4-5-9(2)13(11)15-14(10)18-8-12(16)17/h4-7H,3,8H2,1-2H3,(H,16,17)/p-1.
What are the key properties of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate?
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate has a molecular weight of 260.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate is sourced from PubChem (CID 7383523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).