7-nitro-3-phenyl-1H-quinoxalin-2-one

C14H9N3O3 — CID 10754287

IUPAC7-nitro-3-phenyl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc([N+](=O)[O-])ccc2nc1-c1ccccc1
InChIInChI=1S/C14H9N3O3/c18-14-13(9-4-2-1-3-5-9)15-11-7-6-10(17(19)20)8-12(11)16-14/h1-8H,(H,16,18)
InChIKeyPHRSELIVVOZEMW-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.50
Rot. Bonds2

About 7-nitro-3-phenyl-1H-quinoxalin-2-one

7-nitro-3-phenyl-1H-quinoxalin-2-one (PubChem CID 10754287) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 7-nitro-3-phenyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-nitro-3-phenyl-1H-quinoxalin-2-one
PubChem CID10754287
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name7-nitro-3-phenyl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc([N+](=O)[O-])ccc2nc1-c1ccccc1
InChIInChI=1S/C14H9N3O3/c18-14-13(9-4-2-1-3-5-9)15-11-7-6-10(17(19)20)8-12(11)16-14/h1-8H,(H,16,18)
InChIKeyPHRSELIVVOZEMW-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

3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
CID 24796801
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
(2R)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-phenylacetonitrile
CID 98000084
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
CID 92970296
2-(iodomethyl)-6-nitro-1H-benzimidazole
CID 119085279
6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
CID 134852700
3-(3-nitrophenyl)-6-[3-(3-nitrophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline
CID 59800540
N-(4-methyl-6-phenylpyrimidin-2-yl)-6-nitro-1H-benzimidazol-2-amine
CID 51059485
2-chloro-6-nitro-1H-benzimidazole;ethane
CID 144800712
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097

Frequently Asked Questions

What is the IUPAC name of 7-nitro-3-phenyl-1H-quinoxalin-2-one?
The IUPAC name of 7-nitro-3-phenyl-1H-quinoxalin-2-one (CID 10754287) is 7-nitro-3-phenyl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-nitro-3-phenyl-1H-quinoxalin-2-one?
The canonical SMILES for 7-nitro-3-phenyl-1H-quinoxalin-2-one is O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1-c1ccccc1.
What is the InChIKey of 7-nitro-3-phenyl-1H-quinoxalin-2-one?
The InChIKey is PHRSELIVVOZEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14-13(9-4-2-1-3-5-9)15-11-7-6-10(17(19)20)8-12(11)16-14/h1-8H,(H,16,18).
What are the key properties of 7-nitro-3-phenyl-1H-quinoxalin-2-one?
7-nitro-3-phenyl-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 7-nitro-3-phenyl-1H-quinoxalin-2-one is sourced from PubChem (CID 10754287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).