methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate

C24H19N3O3 — CID 26198220

IUPACmethyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C24H19N3O3/c1-15-7-8-17(24(29)30-2)13-21(15)27-23(28)19-14-22(16-9-11-25-12-10-16)26-20-6-4-3-5-18(19)20/h3-14H,1-2H3,(H,27,28)
InChIKeyFUPQHYIAOLRBNF-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.64
Rot. Bonds4

About methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate

methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate (PubChem CID 26198220) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
PubChem CID26198220
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Namemethyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C24H19N3O3/c1-15-7-8-17(24(29)30-2)13-21(15)27-23(28)19-14-22(16-9-11-25-12-10-16)26-20-6-4-3-5-18(19)20/h3-14H,1-2H3,(H,27,28)
InChIKeyFUPQHYIAOLRBNF-UHFFFAOYSA-N
XLogP4.64
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
CID 5081114
dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 2089041
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55782729
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 1222132
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
methyl 4-fluoro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 46519301
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
dimethyl 5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1224618

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate (CID 26198220) is methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is FUPQHYIAOLRBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-15-7-8-17(24(29)30-2)13-21(15)27-23(28)19-14-22(16-9-11-25-12-10-16)26-20-6-4-3-5-18(19)20/h3-14H,1-2H3,(H,27,28).
What are the key properties of methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate?
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate has a molecular weight of 397.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 26198220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).