N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide

C21H21N3O3 — CID 155925004

IUPACN-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide
SMILESCOc1ccc2nc(C)cc(NC(=O)C(=O)Nc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C21H21N3O3/c1-12-7-13(2)9-15(8-12)23-20(25)21(26)24-19-10-14(3)22-18-6-5-16(27-4)11-17(18)19/h5-11H,1-4H3,(H,23,25)(H,22,24,26)
InChIKeyZQEOFPMBXWNVSB-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.75
Rot. Bonds3

About N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide

N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide (PubChem CID 155925004) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide
PubChem CID155925004
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide
SMILESCOc1ccc2nc(C)cc(NC(=O)C(=O)Nc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C21H21N3O3/c1-12-7-13(2)9-15(8-12)23-20(25)21(26)24-19-10-14(3)22-18-6-5-16(27-4)11-17(18)19/h5-11H,1-4H3,(H,23,25)(H,22,24,26)
InChIKeyZQEOFPMBXWNVSB-UHFFFAOYSA-N
XLogP3.75
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxypropanamide
CID 155925129
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
N-(2,6-dimethylquinolin-4-yl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831819
6-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)quinolin-4-amine
CID 110435675
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
methyl 2-(6-methoxy-2-methylquinolin-4-yl)oxypropanoate
CID 53269444
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide (CID 155925004) is N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide is COc1ccc2nc(C)cc(NC(=O)C(=O)Nc3cc(C)cc(C)c3)c2c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide?
The InChIKey is ZQEOFPMBXWNVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-12-7-13(2)9-15(8-12)23-20(25)21(26)24-19-10-14(3)22-18-6-5-16(27-4)11-17(18)19/h5-11H,1-4H3,(H,23,25)(H,22,24,26).
What are the key properties of N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide?
N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide has a molecular weight of 363.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide is sourced from PubChem (CID 155925004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).