2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid

C25H19N3O4 — CID 6879518

IUPAC2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H19N3O4/c29-24(30)16-32-23-13-7-4-10-18(23)15-26-28-25(31)20-14-22(17-8-2-1-3-9-17)27-21-12-6-5-11-19(20)21/h1-15H,16H2,(H,28,31)(H,29,30)/b26-15+
InChIKeyPFWBJJNXKGHCFJ-CVKSISIWSA-N
MW425.44 g/mol
LogP4.13
Rot. Bonds7

About 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6879518) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6879518
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H19N3O4/c29-24(30)16-32-23-13-7-4-10-18(23)15-26-28-25(31)20-14-22(17-8-2-1-3-9-17)27-21-12-6-5-11-19(20)21/h1-15H,16H2,(H,28,31)(H,29,30)/b26-15+
InChIKeyPFWBJJNXKGHCFJ-CVKSISIWSA-N
XLogP4.13
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.13
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-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic 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-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 6879518) is 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is PFWBJJNXKGHCFJ-CVKSISIWSA-N. The full InChI is InChI=1S/C25H19N3O4/c29-24(30)16-32-23-13-7-4-10-18(23)15-26-28-25(31)20-14-22(17-8-2-1-3-9-17)27-21-12-6-5-11-19(20)21/h1-15H,16H2,(H,28,31)(H,29,30)/b26-15+.
What are the key properties of 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 425.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6879518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).