2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid

C15H17NO2S — CID 43840423

IUPAC2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid
SMILESCc1cc(SCC(=O)O)nc2ccc(C(C)C)cc12
InChIInChI=1S/C15H17NO2S/c1-9(2)11-4-5-13-12(7-11)10(3)6-14(16-13)19-8-15(17)18/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyUNVFEAYFUFZVPI-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid

2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid (PubChem CID 43840423) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid
PubChem CID43840423
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid
SMILESCc1cc(SCC(=O)O)nc2ccc(C(C)C)cc12
InChIInChI=1S/C15H17NO2S/c1-9(2)11-4-5-13-12(7-11)10(3)6-14(16-13)19-8-15(17)18/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyUNVFEAYFUFZVPI-UHFFFAOYSA-N
XLogP3.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
N,4-dimethyl-6-propan-2-ylquinolin-2-amine
CID 84621948
sodium 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 23698351
2-(6-bromo-4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 97179354
N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2423564
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
2-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 66285605
2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2488351
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 4683672
2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 146044569
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41082611

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid (CID 43840423) is 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid is Cc1cc(SCC(=O)O)nc2ccc(C(C)C)cc12.
What is the InChIKey of 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid?
The InChIKey is UNVFEAYFUFZVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-9(2)11-4-5-13-12(7-11)10(3)6-14(16-13)19-8-15(17)18/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid?
2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid has a molecular weight of 275.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 43840423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).