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

C22H19N3O3 — CID 3932902

IUPACN'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H19N3O3/c1-27-19-12-6-7-13-20(19)28-14-21(26)24-25-22-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyMPXUJOKKINUZJP-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.92
Rot. Bonds6

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

N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide (PubChem CID 3932902) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide
PubChem CID3932902
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H19N3O3/c1-27-19-12-6-7-13-20(19)28-14-21(26)24-25-22-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyMPXUJOKKINUZJP-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

Tacrine derivative 16a
CID 16094841
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-benzyl-4-phenylquinolin-6-yl]oxyacetamide
CID 68829605
N-[(2-methylquinolin-4-yl)methyl]-2-phenoxyacetamide
CID 1504524
N'-(acridin-9-yl)-2-phenoxyacetohydrazide
CID 2788823
N'-(9-acridinyl)-2-(3-methylphenoxy)acetohydrazide
CID 2962367
(4-Methoxy-phenoxy)-acetic acid N'-acridin-9-yl-hydrazide
CID 3138569
N-[4-(2-phenoxyethoxy)phenyl]acridin-9-amine
CID 4294635
2-(2-methoxyphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6897231
1-[4-(Acridin-9-ylamino)phenoxy]propan-2-one
CID 10893254

Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide?
The IUPAC name of N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide (CID 3932902) is N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide is COc1ccccc1OCC(=O)NNc1c2ccccc2nc2ccccc12.
What is the InChIKey of N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide?
The InChIKey is MPXUJOKKINUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-19-12-6-7-13-20(19)28-14-21(26)24-25-22-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-acridin-9-yl-2-(2-methoxyphenoxy)acetohydrazide?
N'-acridin-9-yl-2-(2-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-(2-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 3932902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).