methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate

C24H19ClN2O5S — CID 59846273

IUPACmethyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate
SMILESCOC(=O)c1c(Cc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C24H19ClN2O5S/c1-32-24(29)22-20(13-15-7-10-18(11-8-15)33(26,30)31)23(28)19-12-9-16(25)14-21(19)27(22)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H2,26,30,31)
InChIKeyLVFAEYSVAFQYFO-UHFFFAOYSA-N
MW482.95 g/mol
LogP3.67
Rot. Bonds5

About methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate

methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate (PubChem CID 59846273) has the molecular formula C24H19ClN2O5S and a molecular weight of 482.95 g/mol. Its IUPAC name is methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate
PubChem CID59846273
Molecular FormulaC24H19ClN2O5S
Molecular Weight482.95 g/mol
Exact Mass482.07
IUPAC Namemethyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate
SMILESCOC(=O)c1c(Cc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C24H19ClN2O5S/c1-32-24(29)22-20(13-15-7-10-18(11-8-15)33(26,30)31)23(28)19-12-9-16(25)14-21(19)27(22)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H2,26,30,31)
InChIKeyLVFAEYSVAFQYFO-UHFFFAOYSA-N
XLogP3.67
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate?
The IUPAC name of methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate (CID 59846273) is methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate?
The canonical SMILES for methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate is COC(=O)c1c(Cc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate?
The InChIKey is LVFAEYSVAFQYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5S/c1-32-24(29)22-20(13-15-7-10-18(11-8-15)33(26,30)31)23(28)19-12-9-16(25)14-21(19)27(22)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H2,26,30,31).
What are the key properties of methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate?
methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate has a molecular weight of 482.95 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate is sourced from PubChem (CID 59846273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).