4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid

C16H12N4O2 — CID 3363664

IUPAC4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(NN=Cc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H12N4O2/c21-16(22)11-5-7-12(8-6-11)20-18-10-13-9-17-14-3-1-2-4-15(14)19-13/h1-10,20H,(H,21,22)
InChIKeyXGRXKCALDQQDDR-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.77
Rot. Bonds4

About 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid

4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid (PubChem CID 3363664) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid
PubChem CID3363664
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(NN=Cc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H12N4O2/c21-16(22)11-5-7-12(8-6-11)20-18-10-13-9-17-14-3-1-2-4-15(14)19-13/h1-10,20H,(H,21,22)
InChIKeyXGRXKCALDQQDDR-UHFFFAOYSA-N
XLogP2.77
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid 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

Quinoxaline-6-carboxylic acid
CID 674813
4-[(2E)-2-(pyridin-4-ylmethylene)hydrazino]benzoic acid
CID 9569684
Ethyl 3-phenylquinoxaline-6-carboxylate
CID 4641052
4-[(2E)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]benzoic acid
CID 9682252
2,3-Bis(2-pyridyl)quinoxaline-6-carboxylic acid
CID 394188
4-(quinoxalin-2-ylamino)benzoic Acid
CID 3547215
4-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 9631515
4-{(2E)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl}benzoic acid
CID 9624941
(E)-4-(2-(quinolin-6-ylmethylene)hydrazinyl)benzoic acid
CID 9633858
4-[(2E)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid
CID 9636219
4-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]benzoic acid
CID 9658829
2-[2-(4-Quinolinylmethylene)hydrazino]benzoic acid
CID 56642957

Frequently Asked Questions

What is the IUPAC name of 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid (CID 3363664) is 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid is O=C(O)c1ccc(NN=Cc2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid?
The InChIKey is XGRXKCALDQQDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-16(22)11-5-7-12(8-6-11)20-18-10-13-9-17-14-3-1-2-4-15(14)19-13/h1-10,20H,(H,21,22).
What are the key properties of 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid?
4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid has a molecular weight of 292.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 3363664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).