2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide

C26H23N3O3 — CID 46375324

IUPAC2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc23)cc1
InChIInChI=1S/C26H23N3O3/c1-16-4-13-24-22(14-16)23(26(31)28-20-9-11-21(32-3)12-10-20)15-25(29-24)18-5-7-19(8-6-18)27-17(2)30/h4-15H,1-3H3,(H,27,30)(H,28,31)
InChIKeyXUQSQPUMRYHZNC-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.43
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide

2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide (PubChem CID 46375324) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
PubChem CID46375324
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc23)cc1
InChIInChI=1S/C26H23N3O3/c1-16-4-13-24-22(14-16)23(26(31)28-20-9-11-21(32-3)12-10-20)15-25(29-24)18-5-7-19(8-6-18)27-17(2)30/h4-15H,1-3H3,(H,27,30)(H,28,31)
InChIKeyXUQSQPUMRYHZNC-UHFFFAOYSA-N
XLogP5.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate
CID 46375330
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide (CID 46375324) is 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc23)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is XUQSQPUMRYHZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-16-4-13-24-22(14-16)23(26(31)28-20-9-11-21(32-3)12-10-20)15-25(29-24)18-5-7-19(8-6-18)27-17(2)30/h4-15H,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 46375324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).