3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one

C16H11N3O4 — CID 135403094

IUPAC3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2nc1/C=C(\O)c1ccccc1
InChIInChI=1S/C16H11N3O4/c20-15(10-4-2-1-3-5-10)9-14-16(21)18-12-7-6-11(19(22)23)8-13(12)17-14/h1-9,20H,(H,18,21)/b15-9-
InChIKeySTBHFUGEKVMJSL-DHDCSXOGSA-N
MW309.28 g/mol
LogP2.89
Rot. Bonds3

About 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one

3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one (PubChem CID 135403094) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
PubChem CID135403094
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2nc1/C=C(\O)c1ccccc1
InChIInChI=1S/C16H11N3O4/c20-15(10-4-2-1-3-5-10)9-14-16(21)18-12-7-6-11(19(22)23)8-13(12)17-14/h1-9,20H,(H,18,21)/b15-9-
InChIKeySTBHFUGEKVMJSL-DHDCSXOGSA-N
XLogP2.89
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
(E)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135403093
(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135481380
3-(methylamino)-6-nitro-1H-quinoxalin-2-one
CID 101049374
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
6-chloro-3-[2-(4-fluorophenyl)-2-hydroxyethenyl]-8-nitro-1H-quinoxalin-2-one
CID 3937790
6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one
CID 3937787
3-[(Z)-2-(4-cyclohexylphenyl)-2-hydroxyethenyl]-2-oxo-1H-quinoxaline-6-carboxylic acid
CID 135777499
3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one
CID 135440789
3,4,5-trihydroxy-N-[3-[(E)-1-hydroxy-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]benzamide
CID 135541452
3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
CID 135778352

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one (CID 135403094) is 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one is O=c1[nH]c2ccc([N+](=O)[O-])cc2nc1/C=C(\O)c1ccccc1.
What is the InChIKey of 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one?
The InChIKey is STBHFUGEKVMJSL-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-15(10-4-2-1-3-5-10)9-14-16(21)18-12-7-6-11(19(22)23)8-13(12)17-14/h1-9,20H,(H,18,21)/b15-9-.
What are the key properties of 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one?
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one has a molecular weight of 309.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one is sourced from PubChem (CID 135403094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).