8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline

C17H18FNO2S — CID 91574343

IUPAC8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline
SMILESCC=C(C=CC(C)F)S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C17H18FNO2S/c1-3-16(10-9-13(2)18)22(20,21)12-15-7-4-6-14-8-5-11-19-17(14)15/h3-11,13H,12H2,1-2H3
InChIKeyGEDPXHOWRPIYLR-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.97
Rot. Bonds5

About 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline

8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline (PubChem CID 91574343) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline.

Molecular Properties

Compound Name8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline
PubChem CID91574343
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline
SMILESCC=C(C=CC(C)F)S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C17H18FNO2S/c1-3-16(10-9-13(2)18)22(20,21)12-15-7-4-6-14-8-5-11-19-17(14)15/h3-11,13H,12H2,1-2H3
InChIKeyGEDPXHOWRPIYLR-UHFFFAOYSA-N
XLogP3.97
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Methylquinoline
CID 7059
8-Methylquinoline
CID 11910
quinolinium, 2-methyl-1-(3-sulfopropyl)-, inner salt
CID 103914
Quinoline, 8-ethyl-
CID 88185
8-(3-(2-Fluoro-2-(methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10145470
8-(3-(2-(Cyclopropylsulfonyl)-2-fluoro-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10211390
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
3-Ethyl-4-(3''-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
CID 46887799
4-(3''-(Methylsulfonyl)biphenyl-3-yl)-3-propyl-8-(trifluoromethyl)quinoline
CID 46887800

Frequently Asked Questions

What is the IUPAC name of 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline?
The IUPAC name of 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline (CID 91574343) is 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline.
What is the SMILES notation for 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline?
The canonical SMILES for 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline is CC=C(C=CC(C)F)S(=O)(=O)Cc1cccc2cccnc12.
What is the InChIKey of 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline?
The InChIKey is GEDPXHOWRPIYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-3-16(10-9-13(2)18)22(20,21)12-15-7-4-6-14-8-5-11-19-17(14)15/h3-11,13H,12H2,1-2H3.
What are the key properties of 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline?
8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline has a molecular weight of 319.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluorohepta-2,4-dien-3-ylsulfonylmethyl)quinoline is sourced from PubChem (CID 91574343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).