methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate

C26H22N2O5 — CID 3464523

IUPACmethyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)cc1
InChIInChI=1S/C26H22N2O5/c1-31-18-12-13-20(24(14-18)32-2)23-15-21(19-6-4-5-7-22(19)28-23)25(29)27-17-10-8-16(9-11-17)26(30)33-3/h4-15H,1-3H3,(H,27,29)
InChIKeyMZYSFCXUJUQMRO-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.96
Rot. Bonds6

About methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate

methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate (PubChem CID 3464523) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
PubChem CID3464523
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Namemethyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)cc1
InChIInChI=1S/C26H22N2O5/c1-31-18-12-13-20(24(14-18)32-2)23-15-21(19-6-4-5-7-22(19)28-23)25(29)27-17-10-8-16(9-11-17)26(30)33-3/h4-15H,1-3H3,(H,27,29)
InChIKeyMZYSFCXUJUQMRO-UHFFFAOYSA-N
XLogP4.96
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
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
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate (CID 3464523) is methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)cc1.
What is the InChIKey of methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate?
The InChIKey is MZYSFCXUJUQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-31-18-12-13-20(24(14-18)32-2)23-15-21(19-6-4-5-7-22(19)28-23)25(29)27-17-10-8-16(9-11-17)26(30)33-3/h4-15H,1-3H3,(H,27,29).
What are the key properties of methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate?
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate has a molecular weight of 442.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate is sourced from PubChem (CID 3464523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).