2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid

C18H17Cl2NO4S — CID 143652519

IUPAC2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCc2ccccc2N1S(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2NO4S/c19-15-8-7-14(9-16(15)20)26(24)21-13(10-25-11-18(22)23)6-5-12-3-1-2-4-17(12)21/h1-4,7-9,13H,5-6,10-11H2,(H,22,23)
InChIKeyXOCMALSKYHIFIP-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.94
Rot. Bonds6

About 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid

2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid (PubChem CID 143652519) has the molecular formula C18H17Cl2NO4S and a molecular weight of 414.31 g/mol. Its IUPAC name is 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid
PubChem CID143652519
Molecular FormulaC18H17Cl2NO4S
Molecular Weight414.31 g/mol
Exact Mass413.03
IUPAC Name2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCc2ccccc2N1S(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2NO4S/c19-15-8-7-14(9-16(15)20)26(24)21-13(10-25-11-18(22)23)6-5-12-3-1-2-4-17(12)21/h1-4,7-9,13H,5-6,10-11H2,(H,22,23)
InChIKeyXOCMALSKYHIFIP-UHFFFAOYSA-N
XLogP3.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid with MolForge

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Related Compounds

2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802
2-[[1-(3,4-dichlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]-1-[4-[1-(4-methylpiperazin-1-yl)-2-phenylethyl]piperidin-1-yl]ethanone
CID 66703452
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid
CID 132771919
2-[[1-(2,6-dichlorophenyl)sulfanylpiperidin-2-yl]methoxy]acetic acid
CID 89006742
2-[[4-[[4-(3,4-dichlorophenyl)-6-oxo-3-phenylpyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid
CID 46834722
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 55468371
2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 129385003
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfanyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 143858275
2-[1-(4-fluorophenyl)sulfinyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(3-hydroxypropyl)acetamide
CID 144805076
2-[2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 138002006
2-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84618930
2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 69319727

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid (CID 143652519) is 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid is O=C(O)COCC1CCc2ccccc2N1S(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid?
The InChIKey is XOCMALSKYHIFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4S/c19-15-8-7-14(9-16(15)20)26(24)21-13(10-25-11-18(22)23)6-5-12-3-1-2-4-17(12)21/h1-4,7-9,13H,5-6,10-11H2,(H,22,23).
What are the key properties of 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid?
2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid has a molecular weight of 414.31 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 143652519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).