6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione

C15H16N8O4 — CID 19696179

IUPAC6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c3c(c2[nH]c1=O)CC(NCCc1nn[nH]n1)CC3
InChIInChI=1S/C15H16N8O4/c24-14-15(25)18-13-9-5-7(16-4-3-12-19-21-22-20-12)1-2-8(9)11(23(26)27)6-10(13)17-14/h6-7,16H,1-5H2,(H,17,24)(H,18,25)(H,19,20,21,22)
InChIKeyUZGSXCGQQIBYNN-UHFFFAOYSA-N
MW372.35 g/mol
LogP-0.67
Rot. Bonds5

About 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione

6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione (PubChem CID 19696179) has the molecular formula C15H16N8O4 and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione
PubChem CID19696179
Molecular FormulaC15H16N8O4
Molecular Weight372.35 g/mol
Exact Mass372.13
IUPAC Name6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c3c(c2[nH]c1=O)CC(NCCc1nn[nH]n1)CC3
InChIInChI=1S/C15H16N8O4/c24-14-15(25)18-13-9-5-7(16-4-3-12-19-21-22-20-12)1-2-8(9)11(23(26)27)6-10(13)17-14/h6-7,16H,1-5H2,(H,17,24)(H,18,25)(H,19,20,21,22)
InChIKeyUZGSXCGQQIBYNN-UHFFFAOYSA-N
XLogP-0.67
TPSA175.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione 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 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione?
The IUPAC name of 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione (CID 19696179) is 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione.
What is the SMILES notation for 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione?
The canonical SMILES for 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione is O=c1[nH]c2cc([N+](=O)[O-])c3c(c2[nH]c1=O)CC(NCCc1nn[nH]n1)CC3.
What is the InChIKey of 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione?
The InChIKey is UZGSXCGQQIBYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O4/c24-14-15(25)18-13-9-5-7(16-4-3-12-19-21-22-20-12)1-2-8(9)11(23(26)27)6-10(13)17-14/h6-7,16H,1-5H2,(H,17,24)(H,18,25)(H,19,20,21,22).
What are the key properties of 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione?
6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione has a molecular weight of 372.35 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-9-[2-(2H-tetrazol-5-yl)ethylamino]-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione is sourced from PubChem (CID 19696179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).