N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide

C12H13N3O4 — CID 88663907

IUPACN-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide
SMILESCc1c(N(C=O)CCO)[n+](=O)c2ccccc2n1[O-]
InChIInChI=1S/C12H13N3O4/c1-9-12(13(8-17)6-7-16)15(19)11-5-3-2-4-10(11)14(9)18/h2-5,8,16H,6-7H2,1H3
InChIKeyZWVXVZYVPICUGH-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.17
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide

N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide (PubChem CID 88663907) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide
PubChem CID88663907
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide
SMILESCc1c(N(C=O)CCO)[n+](=O)c2ccccc2n1[O-]
InChIInChI=1S/C12H13N3O4/c1-9-12(13(8-17)6-7-16)15(19)11-5-3-2-4-10(11)14(9)18/h2-5,8,16H,6-7H2,1H3
InChIKeyZWVXVZYVPICUGH-UHFFFAOYSA-N
XLogP0.17
TPSA91.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide (CID 88663907) is N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide is Cc1c(N(C=O)CCO)[n+](=O)c2ccccc2n1[O-].
What is the InChIKey of N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide?
The InChIKey is ZWVXVZYVPICUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-9-12(13(8-17)6-7-16)15(19)11-5-3-2-4-10(11)14(9)18/h2-5,8,16H,6-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide?
N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide has a molecular weight of 263.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)formamide is sourced from PubChem (CID 88663907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).