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

C20H25NO4S — CID 110636296

IUPAC1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCC(O)c3cc(C)ccc32)cc1C
InChIInChI=1S/C20H25NO4S/c1-5-25-19-11-15(4)20(12-14(19)3)26(23,24)21-9-8-18(22)16-10-13(2)6-7-17(16)21/h6-7,10-12,18,22H,5,8-9H2,1-4H3
InChIKeyXVSZHPPUGHVEQJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.64
Rot. Bonds4

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

1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636296) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636296
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCC(O)c3cc(C)ccc32)cc1C
InChIInChI=1S/C20H25NO4S/c1-5-25-19-11-15(4)20(12-14(19)3)26(23,24)21-9-8-18(22)16-10-13(2)6-7-17(16)21/h6-7,10-12,18,22H,5,8-9H2,1-4H3
InChIKeyXVSZHPPUGHVEQJ-UHFFFAOYSA-N
XLogP3.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636597
1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110636752
6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636596
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637038
1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636294
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637023
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
ethyl 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116381
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739913
1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 110636164

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol (CID 110636296) is 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol is CCOc1cc(C)c(S(=O)(=O)N2CCC(O)c3cc(C)ccc32)cc1C.
What is the InChIKey of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is XVSZHPPUGHVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-5-25-19-11-15(4)20(12-14(19)3)26(23,24)21-9-8-18(22)16-10-13(2)6-7-17(16)21/h6-7,10-12,18,22H,5,8-9H2,1-4H3.
What are the key properties of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol?
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 375.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).