4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate

C25H19N2O3- — CID 5081114

IUPAC4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)c3ccccc3n2)cc1
InChIInChI=1S/C25H20N2O3/c1-15-7-10-17(11-8-15)23-14-20(19-5-3-4-6-21(19)26-23)24(28)27-22-13-18(25(29)30)12-9-16(22)2/h3-14H,1-2H3,(H,27,28)(H,29,30)/p-1
InChIKeyWKYFCIGWIQNRQD-UHFFFAOYSA-M
MW395.44 g/mol
LogP4.13
Rot. Bonds4

About 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate

4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate (PubChem CID 5081114) has the molecular formula C25H19N2O3- and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Name4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
PubChem CID5081114
Molecular FormulaC25H19N2O3-
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)c3ccccc3n2)cc1
InChIInChI=1S/C25H20N2O3/c1-15-7-10-17(11-8-15)23-14-20(19-5-3-4-6-21(19)26-23)24(28)27-22-13-18(25(29)30)12-9-16(22)2/h3-14H,1-2H3,(H,27,28)(H,29,30)/p-1
InChIKeyWKYFCIGWIQNRQD-UHFFFAOYSA-M
XLogP4.13
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55782729
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate?
The IUPAC name of 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate (CID 5081114) is 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate.
What is the SMILES notation for 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate?
The canonical SMILES for 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate is Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)c3ccccc3n2)cc1.
What is the InChIKey of 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate?
The InChIKey is WKYFCIGWIQNRQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20N2O3/c1-15-7-10-17(11-8-15)23-14-20(19-5-3-4-6-21(19)26-23)24(28)27-22-13-18(25(29)30)12-9-16(22)2/h3-14H,1-2H3,(H,27,28)(H,29,30)/p-1.
What are the key properties of 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate?
4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate has a molecular weight of 395.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate is sourced from PubChem (CID 5081114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).