5,7-dinitro-3-phenyl-1H-quinoxalin-2-one

C14H8N4O5 — CID 24796801

IUPAC5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2nc1-c1ccccc1
InChIInChI=1S/C14H8N4O5/c19-14-12(8-4-2-1-3-5-8)16-13-10(15-14)6-9(17(20)21)7-11(13)18(22)23/h1-7H,(H,15,19)
InChIKeyJQQNZQOEUJDVQO-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.41
Rot. Bonds3

About 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one

5,7-dinitro-3-phenyl-1H-quinoxalin-2-one (PubChem CID 24796801) has the molecular formula C14H8N4O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
PubChem CID24796801
Molecular FormulaC14H8N4O5
Molecular Weight312.24 g/mol
Exact Mass312.05
IUPAC Name5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2nc1-c1ccccc1
InChIInChI=1S/C14H8N4O5/c19-14-12(8-4-2-1-3-5-8)16-13-10(15-14)6-9(17(20)21)7-11(13)18(22)23/h1-7H,(H,15,19)
InChIKeyJQQNZQOEUJDVQO-UHFFFAOYSA-N
XLogP2.41
TPSA132.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
CID 139216877
3,5-dinitro-2-phenylpyridine
CID 14948543
2-(4-methoxyphenoxy)-5,7-dinitro-3-phenylquinoxaline
CID 42605010
5,7-dinitro-2-phenyl-1H-indole
CID 10062345
4-nitro-2-phenyl-6-(trifluoromethyl)-1H-benzimidazole
CID 10913822
1,3-dinitrophenazine
CID 78388402
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
4-nitro-2-phenyl-1H-benzimidazole
CID 3495719
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
CID 134852700

Frequently Asked Questions

What is the IUPAC name of 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one?
The IUPAC name of 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one (CID 24796801) is 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one.
What is the SMILES notation for 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one?
The canonical SMILES for 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one is O=c1[nH]c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2nc1-c1ccccc1.
What is the InChIKey of 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one?
The InChIKey is JQQNZQOEUJDVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O5/c19-14-12(8-4-2-1-3-5-8)16-13-10(15-14)6-9(17(20)21)7-11(13)18(22)23/h1-7H,(H,15,19).
What are the key properties of 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one?
5,7-dinitro-3-phenyl-1H-quinoxalin-2-one has a molecular weight of 312.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dinitro-3-phenyl-1H-quinoxalin-2-one is sourced from PubChem (CID 24796801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).