3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one

C19H18N4O2 — CID 51032536

IUPAC3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C19H18N4O2/c1-3-12-23-16-10-6-5-9-15(16)21-18(19(23)24)22-20-13-14-8-4-7-11-17(14)25-2/h3-11,13H,1,12H2,2H3,(H,21,22)/b20-13+
InChIKeyZFYRDDLUEZBXEX-DEDYPNTBSA-N
MW334.38 g/mol
LogP3.04
Rot. Bonds6

About 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one

3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one (PubChem CID 51032536) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one
PubChem CID51032536
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C19H18N4O2/c1-3-12-23-16-10-6-5-9-15(16)21-18(19(23)24)22-20-13-14-8-4-7-11-17(14)25-2/h3-11,13H,1,12H2,2H3,(H,21,22)/b20-13+
InChIKeyZFYRDDLUEZBXEX-DEDYPNTBSA-N
XLogP3.04
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

3-(Diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one
CID 4825858
N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2096187
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 5344744
N'-(2-methoxybenzylidene)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoacetohydrazide
CID 6876732
N'-(2-fluorobenzylidene)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoacetohydrazide
CID 6876733
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 9671489
3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 73346403
ethyl 2-[3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate
CID 73351003
3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one
CID 73353961
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 118731268
3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 168289236
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 137175240

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one (CID 51032536) is 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one is C=CCn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21.
What is the InChIKey of 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one?
The InChIKey is ZFYRDDLUEZBXEX-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-12-23-16-10-6-5-9-15(16)21-18(19(23)24)22-20-13-14-8-4-7-11-17(14)25-2/h3-11,13H,1,12H2,2H3,(H,21,22)/b20-13+.
What are the key properties of 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one?
3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 51032536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).