2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate

C13H11N7O4 — CID 21491328

IUPAC2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate
SMILESO=COCCn1c(=O)c(C(=O)Nc2nn[nH]n2)nc2ccccc21
InChIInChI=1S/C13H11N7O4/c21-7-24-6-5-20-9-4-2-1-3-8(9)14-10(12(20)23)11(22)15-13-16-18-19-17-13/h1-4,7H,5-6H2,(H2,15,16,17,18,19,22)
InChIKeyYBTDULIDLUQDKJ-UHFFFAOYSA-N
MW329.28 g/mol
LogP-0.67
Rot. Bonds6

About 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate

2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate (PubChem CID 21491328) has the molecular formula C13H11N7O4 and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate.

Molecular Properties

Compound Name2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate
PubChem CID21491328
Molecular FormulaC13H11N7O4
Molecular Weight329.28 g/mol
Exact Mass329.09
IUPAC Name2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate
SMILESO=COCCn1c(=O)c(C(=O)Nc2nn[nH]n2)nc2ccccc21
InChIInChI=1S/C13H11N7O4/c21-7-24-6-5-20-9-4-2-1-3-8(9)14-10(12(20)23)11(22)15-13-16-18-19-17-13/h1-4,7H,5-6H2,(H2,15,16,17,18,19,22)
InChIKeyYBTDULIDLUQDKJ-UHFFFAOYSA-N
XLogP-0.67
TPSA144.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate 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

4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491293
6-methoxy-4-methyl-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491304
3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one
CID 102298020
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
(2Z)-3-methyl-1-oxo-2-[[2-(2H-tetrazol-5-yl)hydrazinyl]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 18529981
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365060
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate?
The IUPAC name of 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate (CID 21491328) is 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate.
What is the SMILES notation for 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate?
The canonical SMILES for 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate is O=COCCn1c(=O)c(C(=O)Nc2nn[nH]n2)nc2ccccc21.
What is the InChIKey of 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate?
The InChIKey is YBTDULIDLUQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O4/c21-7-24-6-5-20-9-4-2-1-3-8(9)14-10(12(20)23)11(22)15-13-16-18-19-17-13/h1-4,7H,5-6H2,(H2,15,16,17,18,19,22).
What are the key properties of 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate?
2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate has a molecular weight of 329.28 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate is sourced from PubChem (CID 21491328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).