3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

C15H11N5O4 — CID 171979348

IUPAC3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H11N5O4/c21-13-6-5-10(20(23)24)7-9(13)8-16-19-14-15(22)18-12-4-2-1-3-11(12)17-14/h1-8,21H,(H,17,19)(H,18,22)/b16-8+
InChIKeyKKVHPYQZUOFGQF-LZYBPNLTSA-N
MW325.28 g/mol
LogP1.98
Rot. Bonds4

About 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (PubChem CID 171979348) has the molecular formula C15H11N5O4 and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
PubChem CID171979348
Molecular FormulaC15H11N5O4
Molecular Weight325.28 g/mol
Exact Mass325.08
IUPAC Name3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H11N5O4/c21-13-6-5-10(20(23)24)7-9(13)8-16-19-14-15(22)18-12-4-2-1-3-11(12)17-14/h1-8,21H,(H,17,19)(H,18,22)/b16-8+
InChIKeyKKVHPYQZUOFGQF-LZYBPNLTSA-N
XLogP1.98
TPSA133.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136719030
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 3850152
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
CID 137165787
3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
CID 135778352
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136859970
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
CID 171151221
2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
CID 135492228
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide
CID 3916277
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (CID 171979348) is 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The InChIKey is KKVHPYQZUOFGQF-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H11N5O4/c21-13-6-5-10(20(23)24)7-9(13)8-16-19-14-15(22)18-12-4-2-1-3-11(12)17-14/h1-8,21H,(H,17,19)(H,18,22)/b16-8+.
What are the key properties of 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one has a molecular weight of 325.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 171979348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).