2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid

C19H19NO4S — CID 123099669

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)S(=O)CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H19NO4S/c21-17(20-12-6-10-14-7-4-5-11-16(14)20)13-25(24)18(19(22)23)15-8-2-1-3-9-15/h1-5,7-9,11,18H,6,10,12-13H2,(H,22,23)
InChIKeyXLPSFQKCMGGVGK-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid (PubChem CID 123099669) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid
PubChem CID123099669
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)S(=O)CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H19NO4S/c21-17(20-12-6-10-14-7-4-5-11-16(14)20)13-25(24)18(19(22)23)15-8-2-1-3-9-15/h1-5,7-9,11,18H,6,10,12-13H2,(H,22,23)
InChIKeyXLPSFQKCMGGVGK-UHFFFAOYSA-N
XLogP2.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
CID 8595991
2-benzylsulfinyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 123099535
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid
CID 123119159
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
2-amino-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43385222
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid (CID 123099669) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid is O=C(O)C(c1ccccc1)S(=O)CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid?
The InChIKey is XLPSFQKCMGGVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-17(20-12-6-10-14-7-4-5-11-16(14)20)13-25(24)18(19(22)23)15-8-2-1-3-9-15/h1-5,7-9,11,18H,6,10,12-13H2,(H,22,23).
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid?
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid has a molecular weight of 357.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid is sourced from PubChem (CID 123099669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).