methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate

C26H23FN2O5S — CID 3183872

IUPACmethyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C26H23FN2O5S/c1-17-7-12-23-19(13-17)14-20(25(30)28-23)16-29(15-18-8-10-21(27)11-9-18)35(32,33)24-6-4-3-5-22(24)26(31)34-2/h3-14H,15-16H2,1-2H3,(H,28,30)
InChIKeyQXYHFKJPGCANQD-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.15
Rot. Bonds7

About methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate

methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate (PubChem CID 3183872) has the molecular formula C26H23FN2O5S and a molecular weight of 494.54 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
PubChem CID3183872
Molecular FormulaC26H23FN2O5S
Molecular Weight494.54 g/mol
Exact Mass494.13
IUPAC Namemethyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C26H23FN2O5S/c1-17-7-12-23-19(13-17)14-20(25(30)28-23)16-29(15-18-8-10-21(27)11-9-18)35(32,33)24-6-4-3-5-22(24)26(31)34-2/h3-14H,15-16H2,1-2H3,(H,28,30)
InChIKeyQXYHFKJPGCANQD-UHFFFAOYSA-N
XLogP4.15
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
CID 1161828
methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 1161875
2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 1165045
methyl 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoate
CID 1162000
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
N-benzyl-2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164875
2-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 3184158
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134227
2-bromo-N-[(4-fluorophenyl)methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164018
methyl 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 1162061
2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161817
methyl 3-[(4-fluorophenyl)methyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]sulfamoyl]benzoate
CID 1165730

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate (CID 3183872) is methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate?
The InChIKey is QXYHFKJPGCANQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5S/c1-17-7-12-23-19(13-17)14-20(25(30)28-23)16-29(15-18-8-10-21(27)11-9-18)35(32,33)24-6-4-3-5-22(24)26(31)34-2/h3-14H,15-16H2,1-2H3,(H,28,30).
What are the key properties of methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate?
methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate has a molecular weight of 494.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate is sourced from PubChem (CID 3183872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).