2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile

C22H16N4O — CID 44715040

IUPAC2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1/C=N/Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H16N4O/c23-13-14-27-21-12-6-1-7-16(21)15-24-26-22-17-8-2-4-10-19(17)25-20-11-5-3-9-18(20)22/h1-12,15H,14H2,(H,25,26)/b24-15+
InChIKeyHFQLCOWLUUYOOI-BUVRLJJBSA-N
MW352.40 g/mol
LogP4.74
Rot. Bonds5

About 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile

2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile (PubChem CID 44715040) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile
PubChem CID44715040
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1/C=N/Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H16N4O/c23-13-14-27-21-12-6-1-7-16(21)15-24-26-22-17-8-2-4-10-19(17)25-20-11-5-3-9-18(20)22/h1-12,15H,14H2,(H,25,26)/b24-15+
InChIKeyHFQLCOWLUUYOOI-BUVRLJJBSA-N
XLogP4.74
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile 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

N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
CID 45481473
[[2-(cyanomethoxy)phenyl]methylideneamino]thiourea
CID 57364675
1-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-3-phenylthiourea
CID 19579301
2-[4-bromo-2-[(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 169382164
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
CID 44715025
2-naphthalen-1-yloxyacetonitrile
CID 4123375
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[[2-(cyanomethoxy)phenyl]methylideneamino]acetamide
CID 3951419
2-[4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 168576917
2-[2-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 126297062
2-[4-bromo-2-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 51427306
2,3,4,5,6-pentafluoro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 5080899
N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169392

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile (CID 44715040) is 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile is N#CCOc1ccccc1/C=N/Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile?
The InChIKey is HFQLCOWLUUYOOI-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H16N4O/c23-13-14-27-21-12-6-1-7-16(21)15-24-26-22-17-8-2-4-10-19(17)25-20-11-5-3-9-18(20)22/h1-12,15H,14H2,(H,25,26)/b24-15+.
What are the key properties of 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile?
2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile has a molecular weight of 352.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 44715040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).