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

Related Compounds

Benzoxiquine
CID 6855
4-(2-{[7-(Quinolin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 9891157
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
(E)-N'-(2-hydroxybenzylidene)-2-(quinolin-8-yloxy)acetohydrazide
CID 135627845
N-((8-Hydroxyquinolin-7-yl)(3-methoxyphenyl)methyl)benzamide
CID 3132203
2-(3-(3-(Quinolin-2-ylmethoxy)phenyl)acryloyl)benzoic acid
CID 10597634
4-({2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-propionylamino}-methyl)-benzoic acid
CID 44352424
N-hydroxy-4-(quinolin-8-yloxymethyl)benzamide
CID 132144667
4-[(Quinolin-8-yloxy)methyl]benzohydrazide
CID 2376875
2-(3-isobutoxyphenyl)-N'-(4-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6873425
2-(3-propoxyphenyl)-N'-(2-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6873485
{2-[(2-Phenyl-quinoline-4-carbonyl)-hydrazonomethyl]-phenoxy}-acetic acid
CID 6879518

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).