3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one

C20H20N4O3 — CID 73353961

IUPAC3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(N/N=C/c2c(OC)cccc2OC)nc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-4-12-24-16-9-6-5-8-15(16)22-19(20(24)25)23-21-13-14-17(26-2)10-7-11-18(14)27-3/h4-11,13H,1,12H2,2-3H3,(H,22,23)/b21-13+
InChIKeyHSVWAVFKLYCKAA-FYJGNVAPSA-N
MW364.41 g/mol
LogP3.05
Rot. Bonds7

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

3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one (PubChem CID 73353961) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one
PubChem CID73353961
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(N/N=C/c2c(OC)cccc2OC)nc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-4-12-24-16-9-6-5-8-15(16)22-19(20(24)25)23-21-13-14-17(26-2)10-7-11-18(14)27-3/h4-11,13H,1,12H2,2-3H3,(H,22,23)/b21-13+
InChIKeyHSVWAVFKLYCKAA-FYJGNVAPSA-N
XLogP3.05
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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]-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one (CID 73353961) is 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one is C=CCn1c(=O)c(N/N=C/c2c(OC)cccc2OC)nc2ccccc21.
What is the InChIKey of 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one?
The InChIKey is HSVWAVFKLYCKAA-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-12-24-16-9-6-5-8-15(16)22-19(20(24)25)23-21-13-14-17(26-2)10-7-11-18(14)27-3/h4-11,13H,1,12H2,2-3H3,(H,22,23)/b21-13+.
What are the key properties of 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one?
3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one has a molecular weight of 364.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 73353961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).