2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one

C18H16N2O3S — CID 166386856

IUPAC2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one
SMILESO=C(Cn1sc2ccccc2c1=O)N1CCCc2c(O)cccc21
InChIInChI=1S/C18H16N2O3S/c21-15-8-3-7-14-12(15)6-4-10-19(14)17(22)11-20-18(23)13-5-1-2-9-16(13)24-20/h1-3,5,7-9,21H,4,6,10-11H2
InChIKeyQAFKQVPKPAMICE-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.75
Rot. Bonds2

About 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one

2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one (PubChem CID 166386856) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one
PubChem CID166386856
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one
SMILESO=C(Cn1sc2ccccc2c1=O)N1CCCc2c(O)cccc21
InChIInChI=1S/C18H16N2O3S/c21-15-8-3-7-14-12(15)6-4-10-19(14)17(22)11-20-18(23)13-5-1-2-9-16(13)24-20/h1-3,5,7-9,21H,4,6,10-11H2
InChIKeyQAFKQVPKPAMICE-UHFFFAOYSA-N
XLogP2.75
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one with MolForge

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Related Compounds

2-(3,3-dimethyl-2-oxobutyl)-1,2-benzothiazol-3-one
CID 138578978
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126
2-(1,1-diphenylethylsulfanyl)-1-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22448980
2-(3-oxo-1,2-benzothiazol-2-yl)ethanethioamide
CID 81434584
2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2-benzothiazol-3-one
CID 172877101
N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 44968084
methyl 3-[[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate
CID 56670281
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 15999898
2-(2,2-dimethylpropyl)-1,2-benzothiazol-3-one
CID 59860472
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 2496717
1-(6-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone
CID 166315637
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one (CID 166386856) is 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one is O=C(Cn1sc2ccccc2c1=O)N1CCCc2c(O)cccc21.
What is the InChIKey of 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one?
The InChIKey is QAFKQVPKPAMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-15-8-3-7-14-12(15)6-4-10-19(14)17(22)11-20-18(23)13-5-1-2-9-16(13)24-20/h1-3,5,7-9,21H,4,6,10-11H2.
What are the key properties of 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one?
2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one has a molecular weight of 340.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 166386856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).