3-(3-nitrophenyl)-1H-quinoxalin-2-one

C14H9N3O3 — CID 129286598

IUPAC3-(3-nitrophenyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9N3O3/c18-14-13(9-4-3-5-10(8-9)17(19)20)15-11-6-1-2-7-12(11)16-14/h1-8H,(H,16,18)
InChIKeyUPGBPLJAOKBTFT-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.50
Rot. Bonds2

About 3-(3-nitrophenyl)-1H-quinoxalin-2-one

3-(3-nitrophenyl)-1H-quinoxalin-2-one (PubChem CID 129286598) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(3-nitrophenyl)-1H-quinoxalin-2-one
PubChem CID129286598
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name3-(3-nitrophenyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9N3O3/c18-14-13(9-4-3-5-10(8-9)17(19)20)15-11-6-1-2-7-12(11)16-14/h1-8H,(H,16,18)
InChIKeyUPGBPLJAOKBTFT-UHFFFAOYSA-N
XLogP2.50
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
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

7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1,3-thiazole
CID 135822805
3-(3-nitrophenyl)-6-[3-(3-nitrophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline
CID 59800540
N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
CID 10314160
5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
CID 24796801
2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072
3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
CID 135585445
2-(3-chloro-5-nitrophenyl)-1H-benzimidazole
CID 168553569
3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
CID 14739100
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(3-nitrophenyl)-1H-quinoxalin-2-one (CID 129286598) is 3-(3-nitrophenyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(3-nitrophenyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(3-nitrophenyl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-nitrophenyl)-1H-quinoxalin-2-one?
The InChIKey is UPGBPLJAOKBTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14-13(9-4-3-5-10(8-9)17(19)20)15-11-6-1-2-7-12(11)16-14/h1-8H,(H,16,18).
What are the key properties of 3-(3-nitrophenyl)-1H-quinoxalin-2-one?
3-(3-nitrophenyl)-1H-quinoxalin-2-one has a molecular weight of 267.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 129286598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).