N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide

C22H19N3O2 — CID 2962367

IUPACN'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
SMILESCc1cccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C22H19N3O2/c1-15-7-6-8-16(13-15)27-14-21(26)24-25-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyWXYVQORSQWZKSQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.22
Rot. Bonds5

About N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide

N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide (PubChem CID 2962367) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
PubChem CID2962367
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
SMILESCc1cccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C22H19N3O2/c1-15-7-6-8-16(13-15)27-14-21(26)24-25-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyWXYVQORSQWZKSQ-UHFFFAOYSA-N
XLogP4.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide
CID 15129776
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 15129766
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide
CID 15129790
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5195318
2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 40649593
N'-acridin-9-yl-2-naphthalen-1-ylacetohydrazide
CID 3740992
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
CID 4915926

Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide?
The IUPAC name of N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide (CID 2962367) is N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide.
What is the SMILES notation for N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide?
The canonical SMILES for N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide is Cc1cccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide?
The InChIKey is WXYVQORSQWZKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-7-6-8-16(13-15)27-14-21(26)24-25-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-13H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide?
N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide has a molecular weight of 357.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide is sourced from PubChem (CID 2962367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).