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

C18H21NO3S — CID 110637023

IUPAC1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(O)c3cccc(C)c32)c1
InChIInChI=1S/C18H21NO3S/c1-12-7-8-13(2)17(11-12)23(21,22)19-10-9-16(20)15-6-4-5-14(3)18(15)19/h4-8,11,16,20H,9-10H2,1-3H3
InChIKeyZRBQUCDHNHBCOJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.24
Rot. Bonds2

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

1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637023) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637023
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(O)c3cccc(C)c32)c1
InChIInChI=1S/C18H21NO3S/c1-12-7-8-13(2)17(11-12)23(21,22)19-10-9-16(20)15-6-4-5-14(3)18(15)19/h4-8,11,16,20H,9-10H2,1-3H3
InChIKeyZRBQUCDHNHBCOJ-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637038
1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637031
1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110636752
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-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637071
7-(2-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-1,4-thiazepane
CID 90629925
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
4-(5-bromo-2-methylphenyl)sulfonyl-5-methyl-2,3-dihydro-1H-quinoxaline
CID 170980719
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636296

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (CID 110637023) is 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is Cc1ccc(C)c(S(=O)(=O)N2CCC(O)c3cccc(C)c32)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is ZRBQUCDHNHBCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-12-7-8-13(2)17(11-12)23(21,22)19-10-9-16(20)15-6-4-5-14(3)18(15)19/h4-8,11,16,20H,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 331.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).