methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate

C26H24N2O6S — CID 50836547

IUPACmethyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc12
InChIInChI=1S/C26H24N2O6S/c1-17-7-9-18(10-8-17)24-15-25(34-16-26(29)33-3)22-13-19(11-12-23(22)27-24)28-35(30,31)21-6-4-5-20(14-21)32-2/h4-15,28H,16H2,1-3H3
InChIKeyKOOPYOXFHHKBPZ-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.57
Rot. Bonds8

About methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate

methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate (PubChem CID 50836547) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
PubChem CID50836547
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Namemethyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc12
InChIInChI=1S/C26H24N2O6S/c1-17-7-9-18(10-8-17)24-15-25(34-16-26(29)33-3)22-13-19(11-12-23(22)27-24)28-35(30,31)21-6-4-5-20(14-21)32-2/h4-15,28H,16H2,1-3H3
InChIKeyKOOPYOXFHHKBPZ-UHFFFAOYSA-N
XLogP4.57
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298915
methyl 2-[2-(4-methylphenyl)-6-nitroquinolin-4-yl]oxyacetate
CID 46507429
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
3-cyano-N-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]benzenesulfonamide
CID 53132361
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044
N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide
CID 50836629
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392639
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate (CID 50836547) is methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate is COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc12.
What is the InChIKey of methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate?
The InChIKey is KOOPYOXFHHKBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-17-7-9-18(10-8-17)24-15-25(34-16-26(29)33-3)22-13-19(11-12-23(22)27-24)28-35(30,31)21-6-4-5-20(14-21)32-2/h4-15,28H,16H2,1-3H3.
What are the key properties of methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate?
methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate has a molecular weight of 492.55 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate is sourced from PubChem (CID 50836547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).