N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide

C23H27N3O6 — CID 15990247

IUPACN-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc(OCC)c1OCC
InChIInChI=1S/C23H27N3O6/c1-6-30-18-11-14(12-19(31-7-2)20(18)32-8-3)21(27)24-15-9-10-16-17(13-15)26(5)23(29)22(28)25(16)4/h9-13H,6-8H2,1-5H3,(H,24,27)
InChIKeyBXOOCWYXJXNJCK-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.69
Rot. Bonds8

About N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide

N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide (PubChem CID 15990247) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
PubChem CID15990247
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc(OCC)c1OCC
InChIInChI=1S/C23H27N3O6/c1-6-30-18-11-14(12-19(31-7-2)20(18)32-8-3)21(27)24-15-9-10-16-17(13-15)26(5)23(29)22(28)25(16)4/h9-13H,6-8H2,1-5H3,(H,24,27)
InChIKeyBXOOCWYXJXNJCK-UHFFFAOYSA-N
XLogP2.69
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
CID 49199824
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578
N-(9,10-dioxoanthracen-2-yl)-3,4,5-triethoxybenzamide
CID 2892221
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 1346461
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16611987
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide (CID 15990247) is N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc(OCC)c1OCC.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide?
The InChIKey is BXOOCWYXJXNJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-6-30-18-11-14(12-19(31-7-2)20(18)32-8-3)21(27)24-15-9-10-16-17(13-15)26(5)23(29)22(28)25(16)4/h9-13H,6-8H2,1-5H3,(H,24,27).
What are the key properties of N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide?
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide has a molecular weight of 441.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 15990247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).