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

C20H17FN2O2S — CID 118714845

IUPAC1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C20H17FN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2
InChIKeyCAQSZKZNIWSEJZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.03
Rot. Bonds3

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

1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline (PubChem CID 118714845) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
PubChem CID118714845
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C20H17FN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2
InChIKeyCAQSZKZNIWSEJZ-UHFFFAOYSA-N
XLogP4.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714841
1-(4-pyridin-3-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454423
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde
CID 155923743
acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-(2-hydroxy-1-pyridin-3-ylethyl)acetamide
CID 144804978
1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588669
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
4-ethyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27368912
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27567804
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964
acetamide;acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 144805036
1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
CID 56588672

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline (CID 118714845) is 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline is O=S(=O)(c1ccc(F)cc1)N1CCCc2cc(-c3cccnc3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The InChIKey is CAQSZKZNIWSEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline has a molecular weight of 368.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118714845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).