1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol

C19H23NO4S — CID 110637038

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(O)c3cccc(C)c32)cc1C
InChIInChI=1S/C19H23NO4S/c1-12-6-5-7-15-16(21)8-9-20(19(12)15)25(22,23)18-11-13(2)17(24-4)10-14(18)3/h5-7,10-11,16,21H,8-9H2,1-4H3
InChIKeyGGNCBRBGQQXLMY-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637038) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637038
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(O)c3cccc(C)c32)cc1C
InChIInChI=1S/C19H23NO4S/c1-12-6-5-7-15-16(21)8-9-20(19(12)15)25(22,23)18-11-13(2)17(24-4)10-14(18)3/h5-7,10-11,16,21H,8-9H2,1-4H3
InChIKeyGGNCBRBGQQXLMY-UHFFFAOYSA-N
XLogP3.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637031
1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637023
6-fluoro-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636597
1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637012
1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637019
1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637024
8-methyl-1-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637026
6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636596
1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637189
1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 113081312
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636296
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (CID 110637038) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is COc1cc(C)c(S(=O)(=O)N2CCC(O)c3cccc(C)c32)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is GGNCBRBGQQXLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-12-6-5-7-15-16(21)8-9-20(19(12)15)25(22,23)18-11-13(2)17(24-4)10-14(18)3/h5-7,10-11,16,21H,8-9H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 361.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).