3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

C16H14N4O3 — CID 135439684

IUPAC3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESCOc1cc(/C=N/Nc2nc3ccccc3[nH]c2=O)ccc1O
InChIInChI=1S/C16H14N4O3/c1-23-14-8-10(6-7-13(14)21)9-17-20-15-16(22)19-12-5-3-2-4-11(12)18-15/h2-9,21H,1H3,(H,18,20)(H,19,22)/b17-9+
InChIKeyQDLPQLZVMMRPSS-RQZCQDPDSA-N
MW310.31 g/mol
LogP2.08
Rot. Bonds4

About 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (PubChem CID 135439684) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
PubChem CID135439684
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESCOc1cc(/C=N/Nc2nc3ccccc3[nH]c2=O)ccc1O
InChIInChI=1S/C16H14N4O3/c1-23-14-8-10(6-7-13(14)21)9-17-20-15-16(22)19-12-5-3-2-4-11(12)18-15/h2-9,21H,1H3,(H,18,20)(H,19,22)/b17-9+
InChIKeyQDLPQLZVMMRPSS-RQZCQDPDSA-N
XLogP2.08
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 402961
3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135439767
3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 168289236
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135678705
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 137175240
3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 51032535
1-Piperazineacetic acid, 4-phenyl-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588025
1-Piperazineacetic acid, 4-phenyl-, ((3,4-dimethoxyphenyl)methylene)hydrazide
CID 9588028
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588031
1-Piperazineacetic acid, 4-(3-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588037
1-Piperazineacetic acid, 4-(4-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588043
4-(1H-Imidazo(4,5-B)phenazin-2-YL)-2-methoxyphenol
CID 4073929

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (CID 135439684) is 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is COc1cc(/C=N/Nc2nc3ccccc3[nH]c2=O)ccc1O.
What is the InChIKey of 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The InChIKey is QDLPQLZVMMRPSS-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-23-14-8-10(6-7-13(14)21)9-17-20-15-16(22)19-12-5-3-2-4-11(12)18-15/h2-9,21H,1H3,(H,18,20)(H,19,22)/b17-9+.
What are the key properties of 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one has a molecular weight of 310.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135439684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).