1,1'-biphenyl;5-nitroquinoxaline

C20H15N3O2 — CID 174497247

IUPAC1,1'-biphenyl;5-nitroquinoxaline
SMILESO=[N+]([O-])c1cccc2nccnc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H5N3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13)7-3-1-2-6-8(7)10-5-4-9-6/h1-10H;1-5H
InChIKeyKBVJUDGXVIKMOR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.89
Rot. Bonds2

About 1,1'-biphenyl;5-nitroquinoxaline

1,1'-biphenyl;5-nitroquinoxaline (PubChem CID 174497247) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1,1'-biphenyl;5-nitroquinoxaline.

Molecular Properties

Compound Name1,1'-biphenyl;5-nitroquinoxaline
PubChem CID174497247
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name1,1'-biphenyl;5-nitroquinoxaline
SMILESO=[N+]([O-])c1cccc2nccnc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H5N3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13)7-3-1-2-6-8(7)10-5-4-9-6/h1-10H;1-5H
InChIKeyKBVJUDGXVIKMOR-UHFFFAOYSA-N
XLogP4.89
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-fluoro-6-nitroquinoxaline
CID 164822939
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
5-nitro-4-pyridin-3-ylquinoline
CID 175692098
4-nitro-2-phenyl-1H-benzimidazole
CID 3495719
5-nitroquinolin-4-amine
CID 53439998
4-chloro-5-nitroquinoline
CID 12582845
1-nitro-2-phenylbenzene;pyridine
CID 174774599
6,7-dinitroquinoxaline
CID 2724608
7-nitro-4-phenylquinolin-8-ol
CID 166150148
CID 88627944
CID 88627944
4-nitro-1,2,3-benzoxadiazole chloride
CID 21284690
2-ethynyl-1-nitro-4-phenylbenzene
CID 176548417

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;5-nitroquinoxaline?
The IUPAC name of 1,1'-biphenyl;5-nitroquinoxaline (CID 174497247) is 1,1'-biphenyl;5-nitroquinoxaline.
What is the SMILES notation for 1,1'-biphenyl;5-nitroquinoxaline?
The canonical SMILES for 1,1'-biphenyl;5-nitroquinoxaline is O=[N+]([O-])c1cccc2nccnc12.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;5-nitroquinoxaline?
The InChIKey is KBVJUDGXVIKMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H5N3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13)7-3-1-2-6-8(7)10-5-4-9-6/h1-10H;1-5H.
What are the key properties of 1,1'-biphenyl;5-nitroquinoxaline?
1,1'-biphenyl;5-nitroquinoxaline has a molecular weight of 329.36 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;5-nitroquinoxaline is sourced from PubChem (CID 174497247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).