N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide

C22H19N3O3 — CID 3138569

IUPACN'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C22H19N3O3/c1-27-15-10-12-16(13-11-15)28-14-21(26)24-25-22-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyCUSKSQFMQKVELA-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.92
Rot. Bonds6

About N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide

N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide (PubChem CID 3138569) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide
PubChem CID3138569
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C22H19N3O3/c1-27-15-10-12-16(13-11-15)28-14-21(26)24-25-22-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyCUSKSQFMQKVELA-UHFFFAOYSA-N
XLogP3.92
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-(acridin-9-yl)-2-(2-methoxyphenoxy)acetohydrazide
CID 3932902
2-(4-methylphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895235
N'-(acridin-9-yl)-2-(4-methylphenoxy)acetohydrazide
CID 3632302
N-(4-ethoxyphenyl)acridin-9-amine
CID 232570
N-(4-hexoxyphenyl)acridin-9-amine
CID 10666866
2-[3-(Aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
CID 56659853
2-[3-(Aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
CID 68829529
2-[3-(Aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide
CID 68829605
2-{[3-(Aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxy}acetamide
CID 68829854
2-[3-(Aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide
CID 68829908
2-[3-(Aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide
CID 68829917
N-(2-methoxyphenyl)acridin-9-amine
CID 53329

Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide?
The IUPAC name of N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide (CID 3138569) is N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide is COc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide?
The InChIKey is CUSKSQFMQKVELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-15-10-12-16(13-11-15)28-14-21(26)24-25-22-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide?
N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide has a molecular weight of 373.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-2-(4-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 3138569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).