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

C18H16N2O2S — CID 15999898

IUPAC3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
SMILESO=C(Cn1c(=O)sc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C18H16N2O2S/c21-17(19-11-5-7-13-6-1-2-8-14(13)19)12-20-15-9-3-4-10-16(15)23-18(20)22/h1-4,6,8-10H,5,7,11-12H2
InChIKeyHMAJEYWMFCUNQI-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.04
Rot. Bonds2

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

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one (PubChem CID 15999898) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
PubChem CID15999898
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
SMILESO=C(Cn1c(=O)sc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C18H16N2O2S/c21-17(19-11-5-7-13-6-1-2-8-14(13)19)12-20-15-9-3-4-10-16(15)23-18(20)22/h1-4,6,8-10H,5,7,11-12H2
InChIKeyHMAJEYWMFCUNQI-UHFFFAOYSA-N
XLogP3.04
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 807438
2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
CID 14221224
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
3-[2-(4-nitrosopiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 21278839
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 16590199
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone
CID 177035206
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethylsulfonylbenzimidazol-1-yl)ethanone
CID 18576773
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]ethanone
CID 16995549

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one (CID 15999898) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one is O=C(Cn1c(=O)sc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The InChIKey is HMAJEYWMFCUNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-17(19-11-5-7-13-6-1-2-8-14(13)19)12-20-15-9-3-4-10-16(15)23-18(20)22/h1-4,6,8-10H,5,7,11-12H2.
What are the key properties of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one has a molecular weight of 324.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 15999898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).