3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one

C16H11N3O4 — CID 135725609

IUPAC3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H11N3O4/c20-15-8-6-10(9-14(15)19(22)23)5-7-13-16(21)18-12-4-2-1-3-11(12)17-13/h1-9,20H,(H,18,21)/b7-5+
InChIKeyBMVQKEWTAVKWKX-FNORWQNLSA-N
MW309.28 g/mol
LogP2.71
Rot. Bonds3

About 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one

3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 135725609) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID135725609
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H11N3O4/c20-15-8-6-10(9-14(15)19(22)23)5-7-13-16(21)18-12-4-2-1-3-11(12)17-13/h1-9,20H,(H,18,21)/b7-5+
InChIKeyBMVQKEWTAVKWKX-FNORWQNLSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(1H-benzimidazol-2-yl)-2-nitrophenol
CID 135696400
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135623432
(E)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile
CID 5291587
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 91938214
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
3-(4-hydroxy-3-nitrophenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135544459
2-nitro-4-[(E)-prop-1-enyl]phenol
CID 163947820
3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
CID 135778352
3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 7150501
3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725610

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one (CID 135725609) is 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1/C=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is BMVQKEWTAVKWKX-FNORWQNLSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-15-8-6-10(9-14(15)19(22)23)5-7-13-16(21)18-12-4-2-1-3-11(12)17-13/h1-9,20H,(H,18,21)/b7-5+.
What are the key properties of 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one?
3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 309.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135725609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).