2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid

C25H19N3O4 — CID 6904677

IUPAC2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(N/N=C/c1ccccc1C(=O)O)c1ccc(COc2cccc3cccnc23)cc1
InChIInChI=1S/C25H19N3O4/c29-24(28-27-15-20-5-1-2-8-21(20)25(30)31)19-12-10-17(11-13-19)16-32-22-9-3-6-18-7-4-14-26-23(18)22/h1-15H,16H2,(H,28,29)(H,30,31)/b27-15+
InChIKeySVRZMMNVGRMLOP-JFLMPSFJSA-N
MW425.44 g/mol
LogP4.28
Rot. Bonds7

About 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid

2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 6904677) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid
PubChem CID6904677
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(N/N=C/c1ccccc1C(=O)O)c1ccc(COc2cccc3cccnc23)cc1
InChIInChI=1S/C25H19N3O4/c29-24(28-27-15-20-5-1-2-8-21(20)25(30)31)19-12-10-17(11-13-19)16-32-22-9-3-6-18-7-4-14-26-23(18)22/h1-15H,16H2,(H,28,29)(H,30,31)/b27-15+
InChIKeySVRZMMNVGRMLOP-JFLMPSFJSA-N
XLogP4.28
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 ≤ 54.28
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)-[[4-(quinolin-8-yloxymethyl)benzoyl]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)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid (CID 6904677) is 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid is O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(COc2cccc3cccnc23)cc1.
What is the InChIKey of 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is SVRZMMNVGRMLOP-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H19N3O4/c29-24(28-27-15-20-5-1-2-8-21(20)25(30)31)19-12-10-17(11-13-19)16-32-22-9-3-6-18-7-4-14-26-23(18)22/h1-15H,16H2,(H,28,29)(H,30,31)/b27-15+.
What are the key properties of 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid?
2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 425.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 6904677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).