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

C18H21NO4S — CID 110636752

IUPAC1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)C(O)CCN2S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H21NO4S/c1-12-4-5-13(2)18(10-12)24(21,22)19-9-8-17(20)15-11-14(23-3)6-7-16(15)19/h4-7,10-11,17,20H,8-9H2,1-3H3
InChIKeyGFRXLTNJNLBNDY-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.94
Rot. Bonds3

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

1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636752) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636752
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)C(O)CCN2S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H21NO4S/c1-12-4-5-13(2)18(10-12)24(21,22)19-9-8-17(20)15-11-14(23-3)6-7-16(15)19/h4-7,10-11,17,20H,8-9H2,1-3H3
InChIKeyGFRXLTNJNLBNDY-UHFFFAOYSA-N
XLogP2.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637023
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636296
1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637189
6-fluoro-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636597
6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636596
1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636294
1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637031
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221
6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
CID 110636787
7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
CID 110637203
7-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637195
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol (CID 110636752) is 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol is COc1ccc2c(c1)C(O)CCN2S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is GFRXLTNJNLBNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-4-5-13(2)18(10-12)24(21,22)19-9-8-17(20)15-11-14(23-3)6-7-16(15)19/h4-7,10-11,17,20H,8-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol?
1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 347.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).