1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol

C17H16N2OS — CID 114337855

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(Cc2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C17H16N2OS/c20-15-9-10-19(14-7-3-1-5-12(14)15)11-17-18-13-6-2-4-8-16(13)21-17/h1-8,15,20H,9-11H2
InChIKeyWUILGRLMFMHLGB-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.74
Rot. Bonds2

About 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol

1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 114337855) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID114337855
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(Cc2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C17H16N2OS/c20-15-9-10-19(14-7-3-1-5-12(14)15)11-17-18-13-6-2-4-8-16(13)21-17/h1-8,15,20H,9-11H2
InChIKeyWUILGRLMFMHLGB-UHFFFAOYSA-N
XLogP3.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337680
1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
2-[[3-(bromomethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104632056
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110015097
1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carbaldehyde
CID 55100069
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 9238768
1-(1,3-benzothiazol-2-ylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 104631136
1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 104632279
1-(1,3-benzothiazol-2-ylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102784109
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
2-[[2-(chloromethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104631990

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol (CID 114337855) is 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol is OC1CCN(Cc2nc3ccccc3s2)c2ccccc21.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is WUILGRLMFMHLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-15-9-10-19(14-7-3-1-5-12(14)15)11-17-18-13-6-2-4-8-16(13)21-17/h1-8,15,20H,9-11H2.
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol?
1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 296.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 114337855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).