N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide

C20H16N8O5 — CID 19696161

IUPACN-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1-c1nn[nH]n1)NC1Cc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C20H16N8O5/c29-16(5-9-3-1-2-4-11(9)18-24-26-27-25-18)21-10-6-12-13(7-10)17-14(8-15(12)28(32)33)22-19(30)20(31)23-17/h1-4,8,10H,5-7H2,(H,21,29)(H,22,30)(H,23,31)(H,24,25,26,27)
InChIKeyICQTUJAYIQZQHD-UHFFFAOYSA-N
MW448.40 g/mol
LogP0.13
Rot. Bonds5

About N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide

N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 19696161) has the molecular formula C20H16N8O5 and a molecular weight of 448.40 g/mol. Its IUPAC name is N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID19696161
Molecular FormulaC20H16N8O5
Molecular Weight448.40 g/mol
Exact Mass448.12
IUPAC NameN-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1-c1nn[nH]n1)NC1Cc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C20H16N8O5/c29-16(5-9-3-1-2-4-11(9)18-24-26-27-25-18)21-10-6-12-13(7-10)17-14(8-15(12)28(32)33)22-19(30)20(31)23-17/h1-4,8,10H,5-7H2,(H,21,29)(H,22,30)(H,23,31)(H,24,25,26,27)
InChIKeyICQTUJAYIQZQHD-UHFFFAOYSA-N
XLogP0.13
TPSA192.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 50.13
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 N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide 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-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide (CID 19696161) is N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide is O=C(Cc1ccccc1-c1nn[nH]n1)NC1Cc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1.
What is the InChIKey of N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is ICQTUJAYIQZQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O5/c29-16(5-9-3-1-2-4-11(9)18-24-26-27-25-18)21-10-6-12-13(7-10)17-14(8-15(12)28(32)33)22-19(30)20(31)23-17/h1-4,8,10H,5-7H2,(H,21,29)(H,22,30)(H,23,31)(H,24,25,26,27).
What are the key properties of N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide?
N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 448.40 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 19696161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).