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

C14H12N8O5 — CID 19696194

IUPACN-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NC1Cc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C14H12N8O5/c23-11(4-10-18-20-21-19-10)15-5-1-6-7(2-5)12-8(3-9(6)22(26)27)16-13(24)14(25)17-12/h3,5H,1-2,4H2,(H,15,23)(H,16,24)(H,17,25)(H,18,19,20,21)
InChIKeyVPBQBSVFZPBWGQ-UHFFFAOYSA-N
MW372.30 g/mol
LogP-1.54
Rot. Bonds4

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

N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 19696194) has the molecular formula C14H12N8O5 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID19696194
Molecular FormulaC14H12N8O5
Molecular Weight372.30 g/mol
Exact Mass372.09
IUPAC NameN-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NC1Cc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C14H12N8O5/c23-11(4-10-18-20-21-19-10)15-5-1-6-7(2-5)12-8(3-9(6)22(26)27)16-13(24)14(25)17-12/h3,5H,1-2,4H2,(H,15,23)(H,16,24)(H,17,25)(H,18,19,20,21)
InChIKeyVPBQBSVFZPBWGQ-UHFFFAOYSA-N
XLogP-1.54
TPSA192.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 5-1.54
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'}

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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-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide (CID 19696194) is N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)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-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[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-(2H-tetrazol-5-yl)acetamide?
The InChIKey is VPBQBSVFZPBWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8O5/c23-11(4-10-18-20-21-19-10)15-5-1-6-7(2-5)12-8(3-9(6)22(26)27)16-13(24)14(25)17-12/h3,5H,1-2,4H2,(H,15,23)(H,16,24)(H,17,25)(H,18,19,20,21).
What are the key properties of N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide?
N-(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 372.30 g/mol, XLogP of -1.54, 4 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-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 19696194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).