8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline

C15H16N2O3S — CID 114599393

IUPAC8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCS(=O)(=O)c1cccnc1Oc1cccc2c1NCCC2
InChIInChI=1S/C15H16N2O3S/c1-21(18,19)13-8-4-10-17-15(13)20-12-7-2-5-11-6-3-9-16-14(11)12/h2,4-5,7-8,10,16H,3,6,9H2,1H3
InChIKeyOWSACDIHMFVQJQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.64
Rot. Bonds3

About 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline

8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 114599393) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
PubChem CID114599393
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCS(=O)(=O)c1cccnc1Oc1cccc2c1NCCC2
InChIInChI=1S/C15H16N2O3S/c1-21(18,19)13-8-4-10-17-15(13)20-12-7-2-5-11-6-3-9-16-14(11)12/h2,4-5,7-8,10,16H,3,6,9H2,1H3
InChIKeyOWSACDIHMFVQJQ-UHFFFAOYSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62929902
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62927288
2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione
CID 61025387
8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 107875268
8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 62770238
8-[(5-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 54907879
8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 103582950
8-[(6-ethoxy-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 63589905
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline (CID 114599393) is 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline is CS(=O)(=O)c1cccnc1Oc1cccc2c1NCCC2.
What is the InChIKey of 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is OWSACDIHMFVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-21(18,19)13-8-4-10-17-15(13)20-12-7-2-5-11-6-3-9-16-14(11)12/h2,4-5,7-8,10,16H,3,6,9H2,1H3.
What are the key properties of 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 304.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114599393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).