5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol

C18H16N2O3S — CID 122442001

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol
SMILESO=S(=O)(c1ccc(O)c2ncccc12)N1CCc2ccccc2C1
InChIInChI=1S/C18H16N2O3S/c21-16-7-8-17(15-6-3-10-19-18(15)16)24(22,23)20-11-9-13-4-1-2-5-14(13)12-20/h1-8,10,21H,9,11-12H2
InChIKeyHEKZRCXBIXZYSL-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.69
Rot. Bonds2

About 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol

5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol (PubChem CID 122442001) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol
PubChem CID122442001
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol
SMILESO=S(=O)(c1ccc(O)c2ncccc12)N1CCc2ccccc2C1
InChIInChI=1S/C18H16N2O3S/c21-16-7-8-17(15-6-3-10-19-18(15)16)24(22,23)20-11-9-13-4-1-2-5-14(13)12-20/h1-8,10,21H,9,11-12H2
InChIKeyHEKZRCXBIXZYSL-UHFFFAOYSA-N
XLogP2.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxyquinoline-5-sulfonate
CID 5260546
CID 173241757
CID 173241757
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol
CID 81233802
sodium 8-hydroxyquinoline-5-sulfonate
CID 23719445
[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyridinyl]hydrazine
CID 103300872
2-(1H-pyrazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 102691582
2-(2,3,4-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 898460
2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 4914550
2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid
CID 99988195
5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
CID 122441904
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62149543
2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 103300054

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol (CID 122442001) is 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol is O=S(=O)(c1ccc(O)c2ncccc12)N1CCc2ccccc2C1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol?
The InChIKey is HEKZRCXBIXZYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-16-7-8-17(15-6-3-10-19-18(15)16)24(22,23)20-11-9-13-4-1-2-5-14(13)12-20/h1-8,10,21H,9,11-12H2.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol?
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol has a molecular weight of 340.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol is sourced from PubChem (CID 122442001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).