6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

C18H20FNO4S — CID 110636596

IUPAC6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(O)c2cc(F)ccc21
InChIInChI=1S/C18H20FNO4S/c1-11-8-17(24-3)18(9-12(11)2)25(22,23)20-7-6-16(21)14-10-13(19)4-5-15(14)20/h4-5,8-10,16,21H,6-7H2,1-3H3
InChIKeyVVQLUHVXSMHWDB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.08
Rot. Bonds3

About 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636596) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636596
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(O)c2cc(F)ccc21
InChIInChI=1S/C18H20FNO4S/c1-11-8-17(24-3)18(9-12(11)2)25(22,23)20-7-6-16(21)14-10-13(19)4-5-15(14)20/h4-5,8-10,16,21H,6-7H2,1-3H3
InChIKeyVVQLUHVXSMHWDB-UHFFFAOYSA-N
XLogP3.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (CID 110636596) is 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(O)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is VVQLUHVXSMHWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-11-8-17(24-3)18(9-12(11)2)25(22,23)20-7-6-16(21)14-10-13(19)4-5-15(14)20/h4-5,8-10,16,21H,6-7H2,1-3H3.
What are the key properties of 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 365.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).