[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate

C23H18N4O5 — CID 110341147

IUPAC[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C23H18N4O5/c28-21(12-11-19-22(29)26-18-5-2-1-4-17(18)25-19)27-24-14-15-7-9-16(10-8-15)32-23(30)20-6-3-13-31-20/h1-10,13-14H,11-12H2,(H,26,29)(H,27,28)/b24-14+
InChIKeyKALKJROQQULJSN-ZVHZXABRSA-N
MW430.42 g/mol
LogP2.82
Rot. Bonds7

About [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate

[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate (PubChem CID 110341147) has the molecular formula C23H18N4O5 and a molecular weight of 430.42 g/mol. Its IUPAC name is [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate
PubChem CID110341147
Molecular FormulaC23H18N4O5
Molecular Weight430.42 g/mol
Exact Mass430.13
IUPAC Name[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C23H18N4O5/c28-21(12-11-19-22(29)26-18-5-2-1-4-17(18)25-19)27-24-14-15-7-9-16(10-8-15)32-23(30)20-6-3-13-31-20/h1-10,13-14H,11-12H2,(H,26,29)(H,27,28)/b24-14+
InChIKeyKALKJROQQULJSN-ZVHZXABRSA-N
XLogP2.82
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(Z)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 110509725
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-[4-(2-phenylethoxy)phenyl]methylideneamino]propanamide
CID 110338874
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338723
N-[(Z)-(3-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538064
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338901
N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786973
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]propanamide
CID 110340847
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339461
N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
CID 3298414
[4-[(E)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 110341117

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate (CID 110341147) is [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate is O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1.
What is the InChIKey of [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The InChIKey is KALKJROQQULJSN-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H18N4O5/c28-21(12-11-19-22(29)26-18-5-2-1-4-17(18)25-19)27-24-14-15-7-9-16(10-8-15)32-23(30)20-6-3-13-31-20/h1-10,13-14H,11-12H2,(H,26,29)(H,27,28)/b24-14+.
What are the key properties of [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate?
[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate has a molecular weight of 430.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 110341147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).