2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide

C27H27N3O5S — CID 16545912

IUPAC2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H27N3O5S/c1-17-10-12-19(36(32,33)30(2)3)15-23(17)29-27(31)21-16-24(28-22-9-7-6-8-20(21)22)18-11-13-25(34-4)26(14-18)35-5/h6-16H,1-5H3,(H,29,31)
InChIKeyVOJFHFVPQQXMTF-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.73
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide (PubChem CID 16545912) has the molecular formula C27H27N3O5S and a molecular weight of 505.60 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide
PubChem CID16545912
Molecular FormulaC27H27N3O5S
Molecular Weight505.60 g/mol
Exact Mass505.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H27N3O5S/c1-17-10-12-19(36(32,33)30(2)3)15-23(17)29-27(31)21-16-24(28-22-9-7-6-8-20(21)22)18-11-13-25(34-4)26(14-18)35-5/h6-16H,1-5H3,(H,29,31)
InChIKeyVOJFHFVPQQXMTF-UHFFFAOYSA-N
XLogP4.73
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 5211935
2-(2,4-dimethylphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-4-carboxamide
CID 26205359
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3560588
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 4171071
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
CID 16564312
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 16550601

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide (CID 16545912) is 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide?
The InChIKey is VOJFHFVPQQXMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5S/c1-17-10-12-19(36(32,33)30(2)3)15-23(17)29-27(31)21-16-24(28-22-9-7-6-8-20(21)22)18-11-13-25(34-4)26(14-18)35-5/h6-16H,1-5H3,(H,29,31).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 16545912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).