1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline

C18H20FNO4S — CID 2942868

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(OC)c(S(=O)(=O)N2c3cc(F)ccc3CCC2C)c1
InChIInChI=1S/C18H20FNO4S/c1-12-4-5-13-6-7-14(19)10-16(13)20(12)25(21,22)18-11-15(23-2)8-9-17(18)24-3/h6-12H,4-5H2,1-3H3
InChIKeyYQDOKLPUHAYSKH-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.37
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline

1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 2942868) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID2942868
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(OC)c(S(=O)(=O)N2c3cc(F)ccc3CCC2C)c1
InChIInChI=1S/C18H20FNO4S/c1-12-4-5-13-6-7-14(19)10-16(13)20(12)25(21,22)18-11-15(23-2)8-9-17(18)24-3/h6-12H,4-5H2,1-3H3
InChIKeyYQDOKLPUHAYSKH-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline (CID 2942868) is 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline is COc1ccc(OC)c(S(=O)(=O)N2c3cc(F)ccc3CCC2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is YQDOKLPUHAYSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-12-4-5-13-6-7-14(19)10-16(13)20(12)25(21,22)18-11-15(23-2)8-9-17(18)24-3/h6-12H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 365.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2942868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).