N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C29H25N5O4S — CID 4622213

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C29H25N5O4S/c1-18-16-19(2)31-29(30-18)34-39(36,37)23-14-10-21(11-15-23)32-28(35)25-17-27(20-8-12-22(38-3)13-9-20)33-26-7-5-4-6-24(25)26/h4-17H,1-3H3,(H,32,35)(H,30,31,34)
InChIKeyVAUXWPCRTQKGDC-UHFFFAOYSA-N
MW539.62 g/mol
LogP5.37
Rot. Bonds7

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4622213) has the molecular formula C29H25N5O4S and a molecular weight of 539.62 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4622213
Molecular FormulaC29H25N5O4S
Molecular Weight539.62 g/mol
Exact Mass539.16
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C29H25N5O4S/c1-18-16-19(2)31-29(30-18)34-39(36,37)23-14-10-21(11-15-23)32-28(35)25-17-27(20-8-12-22(38-3)13-9-20)33-26-7-5-4-6-24(25)26/h4-17H,1-3H3,(H,32,35)(H,30,31,34)
InChIKeyVAUXWPCRTQKGDC-UHFFFAOYSA-N
XLogP5.37
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.62
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512011
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 1009544
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4575874
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4103073

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 4622213) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is VAUXWPCRTQKGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O4S/c1-18-16-19(2)31-29(30-18)34-39(36,37)23-14-10-21(11-15-23)32-28(35)25-17-27(20-8-12-22(38-3)13-9-20)33-26-7-5-4-6-24(25)26/h4-17H,1-3H3,(H,32,35)(H,30,31,34).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 539.62 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4622213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).