N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C20H20N4O6 — CID 32516317

IUPACN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C20H20N4O6/c1-24(2)20(28)11-8-15(29-3)16(30-4)9-13(11)22-17(25)10-5-6-12-14(7-10)23-19(27)18(26)21-12/h5-9H,1-4H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyXFKBHWMWGITYBS-UHFFFAOYSA-N
MW412.40 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 32516317) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID32516317
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC NameN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C20H20N4O6/c1-24(2)20(28)11-8-15(29-3)16(30-4)9-13(11)22-17(25)10-5-6-12-14(7-10)23-19(27)18(26)21-12/h5-9H,1-4H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyXFKBHWMWGITYBS-UHFFFAOYSA-N
XLogP1.19
TPSA133.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
CID 46404987
2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32509130
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-6-methoxypyridine-3-carboxamide
CID 32514301
4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide
CID 32516391
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
2-[(4-fluorobenzoyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 34366934
4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
CID 32511429
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide
CID 46439872
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 32516317) is N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is COc1cc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C(=O)N(C)C)cc1OC.
What is the InChIKey of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is XFKBHWMWGITYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-24(2)20(28)11-8-15(29-3)16(30-4)9-13(11)22-17(25)10-5-6-12-14(7-10)23-19(27)18(26)21-12/h5-9H,1-4H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 412.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 32516317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).