8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline

C18H16N2O2S — CID 2870276

IUPAC8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCc2ccccc21
InChIInChI=1S/C18H16N2O2S/c21-23(22,17-11-3-7-15-8-4-12-19-18(15)17)20-13-5-9-14-6-1-2-10-16(14)20/h1-4,6-8,10-12H,5,9,13H2
InChIKeySVHOOIZUTPIDOF-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.38
Rot. Bonds2

About 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline

8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline (PubChem CID 2870276) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
PubChem CID2870276
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCc2ccccc21
InChIInChI=1S/C18H16N2O2S/c21-23(22,17-11-3-7-15-8-4-12-19-18(15)17)20-13-5-9-14-6-1-2-10-16(14)20/h1-4,6-8,10-12H,5,9,13H2
InChIKeySVHOOIZUTPIDOF-UHFFFAOYSA-N
XLogP3.38
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
8-Quinolinesulfonamide
CID 94464
1-(Phenylsulfonyl)-1H-indole
CID 315017
Gsk-215083 C-11
CID 11696674
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
8-Quinolinesulfonyl chloride
CID 29220
8-Quinolinesulfonic acid
CID 66561
Quinoline, 8,8'-dithiobis-
CID 70876
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 659101
8-Mercaptoquinoline
CID 96028

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline?
The IUPAC name of 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline (CID 2870276) is 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline.
What is the SMILES notation for 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline?
The canonical SMILES for 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline is O=S(=O)(c1cccc2cccnc12)N1CCCc2ccccc21.
What is the InChIKey of 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline?
The InChIKey is SVHOOIZUTPIDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-23(22,17-11-3-7-15-8-4-12-19-18(15)17)20-13-5-9-14-6-1-2-10-16(14)20/h1-4,6-8,10-12H,5,9,13H2.
What are the key properties of 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline?
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline has a molecular weight of 324.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline is sourced from PubChem (CID 2870276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).