2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid

C22H15N3O4 — CID 6906548

IUPAC2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H15N3O4/c26-21(25-23-13-14-6-1-2-7-15(14)22(27)28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-8-16(17)18/h1-13H,(H,25,26)(H,27,28)/b23-13+
InChIKeyMSEOIJPJKDACDP-YDZHTSKRSA-N
MW385.38 g/mol
LogP3.96
Rot. Bonds5

About 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid

2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 6906548) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid
PubChem CID6906548
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H15N3O4/c26-21(25-23-13-14-6-1-2-7-15(14)22(27)28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-8-16(17)18/h1-13H,(H,25,26)(H,27,28)/b23-13+
InChIKeyMSEOIJPJKDACDP-YDZHTSKRSA-N
XLogP3.96
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.96
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 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid (CID 6906548) is 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid is O=C(O)c1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is MSEOIJPJKDACDP-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H15N3O4/c26-21(25-23-13-14-6-1-2-7-15(14)22(27)28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-8-16(17)18/h1-13H,(H,25,26)(H,27,28)/b23-13+.
What are the key properties of 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid?
2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 385.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 6906548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).