2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide

C24H21N3O5S — CID 1010247

IUPAC2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H21N3O5S/c1-31-16-9-12-19(23(13-16)32-2)22-14-20(18-5-3-4-6-21(18)27-22)24(28)26-15-7-10-17(11-8-15)33(25,29)30/h3-14H,1-2H3,(H,26,28)(H2,25,29,30)
InChIKeyHUCGCFVNPZYGSR-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.82
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide (PubChem CID 1010247) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
PubChem CID1010247
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H21N3O5S/c1-31-16-9-12-19(23(13-16)32-2)22-14-20(18-5-3-4-6-21(18)27-22)24(28)26-15-7-10-17(11-8-15)33(25,29)30/h3-14H,1-2H3,(H,26,28)(H2,25,29,30)
InChIKeyHUCGCFVNPZYGSR-UHFFFAOYSA-N
XLogP3.82
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2965713
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide (CID 1010247) is 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide?
The InChIKey is HUCGCFVNPZYGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-31-16-9-12-19(23(13-16)32-2)22-14-20(18-5-3-4-6-21(18)27-22)24(28)26-15-7-10-17(11-8-15)33(25,29)30/h3-14H,1-2H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1010247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).