1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline

C21H20N2O2S — CID 118714841

IUPAC1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2CCCc3cc(-c4cccnc4)ccc32)cc1
InChIInChI=1S/C21H20N2O2S/c1-16-6-9-20(10-7-16)26(24,25)23-13-3-5-18-14-17(8-11-21(18)23)19-4-2-12-22-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3
InChIKeyYKKMRLZEHVPJLV-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.20
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline

1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline (PubChem CID 118714841) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
PubChem CID118714841
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2CCCc3cc(-c4cccnc4)ccc32)cc1
InChIInChI=1S/C21H20N2O2S/c1-16-6-9-20(10-7-16)26(24,25)23-13-3-5-18-14-17(8-11-21(18)23)19-4-2-12-22-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3
InChIKeyYKKMRLZEHVPJLV-UHFFFAOYSA-N
XLogP4.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
8-(3-(2-Fluoro-2-(methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10145470
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
8-(4''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10390387
(E)-1-(4-(3-fluoro-5-(pyridin-4-yl)styryl)phenyl)-4-(isopropylsulfonyl)piperazine
CID 121481824
(E)-1-(cyclopropylsulfonyl)-4-(4-(3-fluoro-5-(pyridin-4-yl)styryl)phenyl)piperazine
CID 121481838
3-{1-[(2,3,4-Trimethylphenyl)sulfonyl]piperidin-2-yl}pyridine
CID 4563535
N-(4-isopropylphenyl)quinoline-8-sulfonamide
CID 4093866

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline (CID 118714841) is 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline is Cc1ccc(S(=O)(=O)N2CCCc3cc(-c4cccnc4)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The InChIKey is YKKMRLZEHVPJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-16-6-9-20(10-7-16)26(24,25)23-13-3-5-18-14-17(8-11-21(18)23)19-4-2-12-22-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline has a molecular weight of 364.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118714841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).