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

C24H22N2O2S — CID 11741843

IUPAC6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline
SMILESCC(C)(c1cc(-c2cccc(-c3cccnc3)c2)c2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C24H22N2O2S/c1-24(2,29(3,27)28)21-14-19-9-6-12-26-23(19)22(15-21)18-8-4-7-17(13-18)20-10-5-11-25-16-20/h4-16H,1-3H3
InChIKeyFLOHHFDEWSPOAZ-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.24
Rot. Bonds4

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

6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline (PubChem CID 11741843) 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-3-ylphenyl)quinoline.

Molecular Properties

Compound Name6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline
PubChem CID11741843
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline
SMILESCC(C)(c1cc(-c2cccc(-c3cccnc3)c2)c2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C24H22N2O2S/c1-24(2,29(3,27)28)21-14-19-9-6-12-26-23(19)22(15-21)18-8-4-7-17(13-18)20-10-5-11-25-16-20/h4-16H,1-3H3
InChIKeyFLOHHFDEWSPOAZ-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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Related Compounds

4-(4-Dimethylaminostyryl)quinoline
CID 668053
6-(4-Pyridylmethyl)-8-(3-nitrophenyl)quinoline
CID 9819356
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
6,6'-Biquinoline
CID 620711
8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline
CID 10404815
8-(3-(2-Fluoro-2-(methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10145470
2-(8-(3-(((4-Fluorobenzyl)(4-(methylsulfonyl)phenyl)amino)methyl)phenyl)quinolin-6-yl)-2-methylpropanenitrile
CID 10196596
8-(3-(2-(Cyclopropylsulfonyl)-2-fluoro-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10211390
8-[3-[2-Dimethoxyphosphoryl-2-fluoro-2-(4-methylsulfonylphenyl)ethyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
CID 10211456
8-(3-(2-(Methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10232061
8-(3''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10254542
(E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)quinoline
CID 10301548

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline?
The IUPAC name of 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline (CID 11741843) is 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline.
What is the SMILES notation for 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline?
The canonical SMILES for 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline is CC(C)(c1cc(-c2cccc(-c3cccnc3)c2)c2ncccc2c1)S(C)(=O)=O.
What is the InChIKey of 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline?
The InChIKey is FLOHHFDEWSPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-24(2,29(3,27)28)21-14-19-9-6-12-26-23(19)22(15-21)18-8-4-7-17(13-18)20-10-5-11-25-16-20/h4-16H,1-3H3.
What are the key properties of 6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-ylphenyl)quinoline?
6-(2-methylsulfonylpropan-2-yl)-8-(3-pyridin-3-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-3-ylphenyl)quinoline is sourced from PubChem (CID 11741843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).