N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide

C17H12N4O4 — CID 141442262

IUPACN-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C#N)[n+]([O-])c3ccccc3[n+]2[O-])cc1
InChIInChI=1S/C17H12N4O4/c1-25-12-8-6-11(7-9-12)17(22)19-16-15(10-18)20(23)13-4-2-3-5-14(13)21(16)24/h2-9H,1H3,(H,19,22)
InChIKeyUDOMUQKJVNWEHD-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.24
Rot. Bonds3

About N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide

N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide (PubChem CID 141442262) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide
PubChem CID141442262
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC NameN-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C#N)[n+]([O-])c3ccccc3[n+]2[O-])cc1
InChIInChI=1S/C17H12N4O4/c1-25-12-8-6-11(7-9-12)17(22)19-16-15(10-18)20(23)13-4-2-3-5-14(13)21(16)24/h2-9H,1H3,(H,19,22)
InChIKeyUDOMUQKJVNWEHD-UHFFFAOYSA-N
XLogP1.24
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)benzamide
CID 141442268
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
4-methoxy-N-[2-[[2-[(4-methoxybenzoyl)amino]phenyl]ditellanyl]phenyl]benzamide
CID 135052422
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide
CID 134114036
methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 3368633
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide (CID 141442262) is N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C#N)[n+]([O-])c3ccccc3[n+]2[O-])cc1.
What is the InChIKey of N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide?
The InChIKey is UDOMUQKJVNWEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c1-25-12-8-6-11(7-9-12)17(22)19-16-15(10-18)20(23)13-4-2-3-5-14(13)21(16)24/h2-9H,1H3,(H,19,22).
What are the key properties of N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide?
N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide has a molecular weight of 336.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 141442262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).