N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

C27H25N3O3 — CID 26243054

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C27H25N3O3/c1-16-9-11-20(17(2)13-16)24-15-22(21-7-5-6-8-23(21)29-24)27(32)30-25-14-19(28-18(3)31)10-12-26(25)33-4/h5-15H,1-4H3,(H,28,31)(H,30,32)
InChIKeyBPUICVFRCCFKKJ-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.74
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 26243054) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID26243054
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C27H25N3O3/c1-16-9-11-20(17(2)13-16)24-15-22(21-7-5-6-8-23(21)29-24)27(32)30-25-14-19(28-18(3)31)10-12-26(25)33-4/h5-15H,1-4H3,(H,28,31)(H,30,32)
InChIKeyBPUICVFRCCFKKJ-UHFFFAOYSA-N
XLogP5.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-4-carboxamide
CID 26205359
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
N-(3-acetamido-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 35346205
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 18073634
N-(5-acetamido-2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 43052490
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea
CID 994737
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (CID 26243054) is N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is BPUICVFRCCFKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-16-9-11-20(17(2)13-16)24-15-22(21-7-5-6-8-23(21)29-24)27(32)30-25-14-19(28-18(3)31)10-12-26(25)33-4/h5-15H,1-4H3,(H,28,31)(H,30,32).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 26243054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).