3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

C17H16N4O3 — CID 73346403

IUPAC3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESCOc1cccc(OC)c1/C=N/Nc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H16N4O3/c1-23-14-8-5-9-15(24-2)11(14)10-18-21-16-17(22)20-13-7-4-3-6-12(13)19-16/h3-10H,1-2H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyOYBAAGZPHIQLRE-VCHYOVAHSA-N
MW324.34 g/mol
LogP2.39
Rot. Bonds5

About 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (PubChem CID 73346403) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
PubChem CID73346403
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESCOc1cccc(OC)c1/C=N/Nc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H16N4O3/c1-23-14-8-5-9-15(24-2)11(14)10-18-21-16-17(22)20-13-7-4-3-6-12(13)19-16/h3-10H,1-2H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyOYBAAGZPHIQLRE-VCHYOVAHSA-N
XLogP2.39
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (CID 73346403) is 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is COc1cccc(OC)c1/C=N/Nc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The InChIKey is OYBAAGZPHIQLRE-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-14-8-5-9-15(24-2)11(14)10-18-21-16-17(22)20-13-7-4-3-6-12(13)19-16/h3-10H,1-2H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one has a molecular weight of 324.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 73346403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).