ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate

C28H25N3O4 — CID 46375330

IUPACethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc23)c1
InChIInChI=1S/C28H25N3O4/c1-4-35-28(34)20-6-5-7-22(15-20)30-27(33)24-16-26(31-25-13-8-17(2)14-23(24)25)19-9-11-21(12-10-19)29-18(3)32/h5-16H,4H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyWNQKPYPDBVJBAF-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.60
Rot. Bonds6

About ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate

ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate (PubChem CID 46375330) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate
PubChem CID46375330
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC Nameethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc23)c1
InChIInChI=1S/C28H25N3O4/c1-4-35-28(34)20-6-5-7-22(15-20)30-27(33)24-16-26(31-25-13-8-17(2)14-23(24)25)19-9-11-21(12-10-19)29-18(3)32/h5-16H,4H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyWNQKPYPDBVJBAF-UHFFFAOYSA-N
XLogP5.60
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
ethyl 3-acetamidobenzoate
CID 700589
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
N-ethoxy-6-methyl-2-phenylquinoline-4-carboxamide
CID 31098936
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773
ethyl 4,5-dimethyl-2-[(6-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 3165783
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate (CID 46375330) is ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc23)c1.
What is the InChIKey of ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate?
The InChIKey is WNQKPYPDBVJBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-4-35-28(34)20-6-5-7-22(15-20)30-27(33)24-16-26(31-25-13-8-17(2)14-23(24)25)19-9-11-21(12-10-19)29-18(3)32/h5-16H,4H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate?
ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate has a molecular weight of 467.53 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate is sourced from PubChem (CID 46375330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).