3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one

C18H15NO2S — CID 166457897

IUPAC3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1ccc2c(c1)S(=O)CC2
InChIInChI=1S/C18H15NO2S/c20-18-15(11-14-3-1-2-4-16(14)19-18)9-12-5-6-13-7-8-22(21)17(13)10-12/h1-6,10-11H,7-9H2,(H,19,20)
InChIKeyGWMJHTWFIGTEAV-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.78
Rot. Bonds2

About 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one

3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one (PubChem CID 166457897) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
PubChem CID166457897
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1ccc2c(c1)S(=O)CC2
InChIInChI=1S/C18H15NO2S/c20-18-15(11-14-3-1-2-4-16(14)19-18)9-12-5-6-13-7-8-22(21)17(13)10-12/h1-6,10-11H,7-9H2,(H,19,20)
InChIKeyGWMJHTWFIGTEAV-UHFFFAOYSA-N
XLogP2.78
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
CID 166457788
3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
CID 166457969
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
CID 167291231
3-[[4-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]phenyl]methyl]-1H-quinolin-2-one
CID 175839152
N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide
CID 167290973
5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166458088
3-[[4-(hydroxymethyl)phenyl]methylsulfinylmethyl]-1H-quinolin-2-one
CID 110005456
8-chloro-6-[(2-oxo-1H-quinolin-3-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 166458027
3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one
CID 166457819
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one (CID 166457897) is 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1Cc1ccc2c(c1)S(=O)CC2.
What is the InChIKey of 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one?
The InChIKey is GWMJHTWFIGTEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-18-15(11-14-3-1-2-4-16(14)19-18)9-12-5-6-13-7-8-22(21)17(13)10-12/h1-6,10-11H,7-9H2,(H,19,20).
What are the key properties of 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one?
3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one has a molecular weight of 309.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166457897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).