6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline

C24H22N2O2S — CID 10386398

IUPAC6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline
SMILESCC(C)(c1cc(-c2cccc(-c3ccncc3)c2)c2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C24H22N2O2S/c1-24(2,29(3,27)28)21-15-20-8-5-11-26-23(20)22(16-21)19-7-4-6-18(14-19)17-9-12-25-13-10-17/h4-16H,1-3H3
InChIKeyMZEUFXJDMMSPCB-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.24
Rot. Bonds4

About 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline

6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline (PubChem CID 10386398) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline.

Molecular Properties

Compound Name6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline
PubChem CID10386398
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline
SMILESCC(C)(c1cc(-c2cccc(-c3ccncc3)c2)c2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C24H22N2O2S/c1-24(2,29(3,27)28)21-15-20-8-5-11-26-23(20)22(16-21)19-7-4-6-18(14-19)17-9-12-25-13-10-17/h4-16H,1-3H3
InChIKeyMZEUFXJDMMSPCB-UHFFFAOYSA-N
XLogP5.24
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline?
The IUPAC name of 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline (CID 10386398) is 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline.
What is the SMILES notation for 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline?
The canonical SMILES for 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline is CC(C)(c1cc(-c2cccc(-c3ccncc3)c2)c2ncccc2c1)S(C)(=O)=O.
What is the InChIKey of 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline?
The InChIKey is MZEUFXJDMMSPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-24(2,29(3,27)28)21-15-20-8-5-11-26-23(20)22(16-21)19-7-4-6-18(14-19)17-9-12-25-13-10-17/h4-16H,1-3H3.
What are the key properties of 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline?
6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline has a molecular weight of 402.52 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-4-ylphenyl)quinoline is sourced from PubChem (CID 10386398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).