methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate

C18H19NO4S — CID 51170271

IUPACmethyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C18H19NO4S/c1-13-9-10-16-14(12-13)6-5-11-19(16)24(21,22)17-8-4-3-7-15(17)18(20)23-2/h3-4,7-10,12H,5-6,11H2,1-2H3
InChIKeyOULJKYBBFDBFOJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.92
Rot. Bonds3

About methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate

methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate (PubChem CID 51170271) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
PubChem CID51170271
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Namemethyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C18H19NO4S/c1-13-9-10-16-14(12-13)6-5-11-19(16)24(21,22)17-8-4-3-7-15(17)18(20)23-2/h3-4,7-10,12H,5-6,11H2,1-2H3
InChIKeyOULJKYBBFDBFOJ-UHFFFAOYSA-N
XLogP2.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62150985
methyl 2-[[7-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate
CID 175307009
methyl 2-[[7-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate
CID 141486301
methyl 1-(2,5-dimethylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 31756213
methyl 2-[[7-[(2,5-dimethoxyphenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate
CID 141486276
methyl 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate
CID 58792761
methyl 2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]benzoate
CID 141486298
1-O-methyl 2-O-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] benzene-1,2-dicarboxylate
CID 56506413
methyl 2-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 47104022
1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid
CID 167978088
1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 22205745
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate?
The IUPAC name of methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate (CID 51170271) is methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate.
What is the SMILES notation for methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate?
The canonical SMILES for methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N1CCCc2cc(C)ccc21.
What is the InChIKey of methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate?
The InChIKey is OULJKYBBFDBFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-13-9-10-16-14(12-13)6-5-11-19(16)24(21,22)17-8-4-3-7-15(17)18(20)23-2/h3-4,7-10,12H,5-6,11H2,1-2H3.
What are the key properties of methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate?
methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate has a molecular weight of 345.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate is sourced from PubChem (CID 51170271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).