7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione

C14H16N4O4 — CID 22097078

IUPAC7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione
SMILESNc1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O4/c15-9-6-10-12(7-11(9)18(21)22)17(14(20)13(19)16-10)8-4-2-1-3-5-8/h6-8H,1-5,15H2,(H,16,19)
InChIKeyJWVBCLRVRDHOPL-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.69
Rot. Bonds2

About 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione

7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione (PubChem CID 22097078) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione
PubChem CID22097078
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione
SMILESNc1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O4/c15-9-6-10-12(7-11(9)18(21)22)17(14(20)13(19)16-10)8-4-2-1-3-5-8/h6-8H,1-5,15H2,(H,16,19)
InChIKeyJWVBCLRVRDHOPL-UHFFFAOYSA-N
XLogP1.69
TPSA124.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione with MolForge

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Related Compounds

Dnqx
CID 3899541
6-Nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 4038142
6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 11334126
5,7-Dinitro-1,4-dihydro-quinoxaline-2,3-dione
CID 16760018
1,4-Dimethyl-6-(4-morpholinyl)-7-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 2992790
1,4-Dimethyl-6,7-dinitroquinoxaline-2,3-dione
CID 3097087
1-[4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2919680
6,7-Difluoro-5-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 10800253
4-(4-Fluorophenyl)-N-(2-nitrophenyl)-1-piperazineacetamide
CID 4160800
Marfey's reagent
CID 5486955
N-(3-nitrophenyl)-2-oxo-2-(1-piperidinyl)acetamide
CID 2193983
N-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]acetamide
CID 2948827

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione?
The IUPAC name of 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione (CID 22097078) is 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione?
The canonical SMILES for 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione is Nc1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1[N+](=O)[O-].
What is the InChIKey of 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione?
The InChIKey is JWVBCLRVRDHOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c15-9-6-10-12(7-11(9)18(21)22)17(14(20)13(19)16-10)8-4-2-1-3-5-8/h6-8H,1-5,15H2,(H,16,19).
What are the key properties of 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione?
7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione has a molecular weight of 304.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 22097078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).