N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide

C20H20N4O3 — CID 46543736

IUPACN-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1NC(C)=O
InChIInChI=1S/C20H20N4O3/c1-11-12(2)22-17-9-14(5-7-16(17)21-11)20(26)24-15-6-8-19(27-4)18(10-15)23-13(3)25/h5-10H,1-4H3,(H,23,25)(H,24,26)
InChIKeyOKAXYBQXPKTQDA-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.47
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide

N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 46543736) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID46543736
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1NC(C)=O
InChIInChI=1S/C20H20N4O3/c1-11-12(2)22-17-9-14(5-7-16(17)21-11)20(26)24-15-6-8-19(27-4)18(10-15)23-13(3)25/h5-10H,1-4H3,(H,23,25)(H,24,26)
InChIKeyOKAXYBQXPKTQDA-UHFFFAOYSA-N
XLogP3.47
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
N-(3-acetamido-4-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24666765
N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 2993039
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51317994
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189
N-(3-acetamido-4-methoxyphenyl)-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 24666750

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide (CID 46543736) is N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide is COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is OKAXYBQXPKTQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-11-12(2)22-17-9-14(5-7-16(17)21-11)20(26)24-15-6-8-19(27-4)18(10-15)23-13(3)25/h5-10H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 46543736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).