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

C18H21NO4S — CID 110637031

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)c3cccc(C)c32)c(C)c1
InChIInChI=1S/C18H21NO4S/c1-12-5-4-6-15-16(20)9-10-19(18(12)15)24(21,22)17-8-7-14(23-3)11-13(17)2/h4-8,11,16,20H,9-10H2,1-3H3
InChIKeyZCJTWZFMRBRBDF-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.94
Rot. Bonds3

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

1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637031) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637031
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)c3cccc(C)c32)c(C)c1
InChIInChI=1S/C18H21NO4S/c1-12-5-4-6-15-16(20)9-10-19(18(12)15)24(21,22)17-8-7-14(23-3)11-13(17)2/h4-8,11,16,20H,9-10H2,1-3H3
InChIKeyZCJTWZFMRBRBDF-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-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637038
1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637023
1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637189
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
1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110636752
8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637071
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (CID 110637031) is 1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is COc1ccc(S(=O)(=O)N2CCC(O)c3cccc(C)c32)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is ZCJTWZFMRBRBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-5-4-6-15-16(20)9-10-19(18(12)15)24(21,22)17-8-7-14(23-3)11-13(17)2/h4-8,11,16,20H,9-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-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-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).