1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol

C18H21NO3S — CID 110637024

IUPAC1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCCc1ccc(S(=O)(=O)N2CCC(O)c3cccc(C)c32)cc1
InChIInChI=1S/C18H21NO3S/c1-3-14-7-9-15(10-8-14)23(21,22)19-12-11-17(20)16-6-4-5-13(2)18(16)19/h4-10,17,20H,3,11-12H2,1-2H3
InChIKeyXCZRDGJGLVYFSN-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.19
Rot. Bonds3

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

1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637024) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637024
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCCc1ccc(S(=O)(=O)N2CCC(O)c3cccc(C)c32)cc1
InChIInChI=1S/C18H21NO3S/c1-3-14-7-9-15(10-8-14)23(21,22)19-12-11-17(20)16-6-4-5-13(2)18(16)19/h4-10,17,20H,3,11-12H2,1-2H3
InChIKeyXCZRDGJGLVYFSN-UHFFFAOYSA-N
XLogP3.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637065
1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637019
8-methyl-1-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637026
1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637012
8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637071
1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637023
1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637031
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637038
2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636961
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 2198495

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (CID 110637024) is 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is CCc1ccc(S(=O)(=O)N2CCC(O)c3cccc(C)c32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is XCZRDGJGLVYFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-14-7-9-15(10-8-14)23(21,22)19-12-11-17(20)16-6-4-5-13(2)18(16)19/h4-10,17,20H,3,11-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 331.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).