3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

C18H16N4O2 — CID 6036204

IUPAC3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESC=CCOc1ccc(/C=N\Nc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H16N4O2/c1-2-11-24-14-9-7-13(8-10-14)12-19-22-17-18(23)21-16-6-4-3-5-15(16)20-17/h2-10,12H,1,11H2,(H,20,22)(H,21,23)/b19-12-
InChIKeyQTAQJDSVTSMBHT-UNOMPAQXSA-N
MW320.35 g/mol
LogP2.93
Rot. Bonds6

About 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (PubChem CID 6036204) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
PubChem CID6036204
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESC=CCOc1ccc(/C=N\Nc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H16N4O2/c1-2-11-24-14-9-7-13(8-10-14)12-19-22-17-18(23)21-16-6-4-3-5-15(16)20-17/h2-10,12H,1,11H2,(H,20,22)(H,21,23)/b19-12-
InChIKeyQTAQJDSVTSMBHT-UNOMPAQXSA-N
XLogP2.93
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 6004069
3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride
CID 137120246
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
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 6301261
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 4166648
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481653
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-[4-(2-phenylethoxy)phenyl]methylideneamino]propanamide
CID 110338874
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338723
3-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 56725881
3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 171979348
[4-[(Z)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 110509725

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (CID 6036204) is 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is C=CCOc1ccc(/C=N\Nc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The InChIKey is QTAQJDSVTSMBHT-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-11-24-14-9-7-13(8-10-14)12-19-22-17-18(23)21-16-6-4-3-5-15(16)20-17/h2-10,12H,1,11H2,(H,20,22)(H,21,23)/b19-12-.
What are the key properties of 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one has a molecular weight of 320.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 6036204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).