2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid

C14H15NO2S — CID 855595

IUPAC2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
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)
InChIKeyDQFDILJIKIXOGQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.28
Rot. Bonds4

About 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid

2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid (PubChem CID 855595) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
PubChem CID855595
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
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)
InChIKeyDQFDILJIKIXOGQ-UHFFFAOYSA-N
XLogP3.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate
CID 7383523
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
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid (CID 855595) is 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid is CCc1cc2cccc(C)c2nc1SCC(=O)O.
What is the InChIKey of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid?
The InChIKey is DQFDILJIKIXOGQ-UHFFFAOYSA-N. 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).
What are the key properties of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid?
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid has a molecular weight of 261.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 855595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).