methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate

C17H13ClN4O2 — CID 56725889

IUPACmethyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C17H13ClN4O2/c1-24-17(23)12-8-6-11(7-9-12)10-19-22-16-15(18)20-13-4-2-3-5-14(13)21-16/h2-10H,1H3,(H,21,22)/b19-10+
InChIKeyHDCPMJMVHVVHHI-VXLYETTFSA-N
MW340.77 g/mol
LogP3.52
Rot. Bonds4

About methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate

methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate (PubChem CID 56725889) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate
PubChem CID56725889
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Namemethyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C17H13ClN4O2/c1-24-17(23)12-8-6-11(7-9-12)10-19-22-16-15(18)20-13-4-2-3-5-14(13)21-16/h2-10H,1H3,(H,21,22)/b19-10+
InChIKeyHDCPMJMVHVVHHI-VXLYETTFSA-N
XLogP3.52
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
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'}

Analyze methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate 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

methyl 4-[[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 4002344
3-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]quinoxalin-2-amine
CID 3292221
methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate
CID 8001515
3-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 56725881
methyl 4-[5-[(2Z)-2-benzylidenehydrazinyl]-2H-triazol-4-yl]benzoate
CID 11759049
methyl 4-[[[4-[[(4-methoxycarbonylphenyl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]methyl]benzoate
CID 4090499
3-chloro-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
CID 6243010
methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate
CID 3659610
methyl 4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 5341566
methyl 4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]benzoate
CID 110337939
methyl 4-[(Z)-[(C,N-dipyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]benzoate
CID 26366500
methyl 4-[(E)-[(4-cyanophenyl)hydrazinylidene]methyl]benzoate
CID 46915929

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate (CID 56725889) is methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1.
What is the InChIKey of methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate?
The InChIKey is HDCPMJMVHVVHHI-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-24-17(23)12-8-6-11(7-9-12)10-19-22-16-15(18)20-13-4-2-3-5-14(13)21-16/h2-10H,1H3,(H,21,22)/b19-10+.
What are the key properties of methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate?
methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate has a molecular weight of 340.77 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 56725889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).