4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one

C22H15ClN2O — CID 15103681

IUPAC4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one
SMILESO=C1/C(=N\c2ccc(Cl)cc2)C=C(Nc2ccccc2)c2ccccc21
InChIInChI=1S/C22H15ClN2O/c23-15-10-12-17(13-11-15)25-21-14-20(24-16-6-2-1-3-7-16)18-8-4-5-9-19(18)22(21)26/h1-14,24H/b25-21-
InChIKeyWOLRQBPLYONJJI-DAFNUICNSA-N
MW358.83 g/mol
LogP5.76
Rot. Bonds3

About 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one

4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one (PubChem CID 15103681) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one.

Molecular Properties

Compound Name4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one
PubChem CID15103681
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one
SMILESO=C1/C(=N\c2ccc(Cl)cc2)C=C(Nc2ccccc2)c2ccccc21
InChIInChI=1S/C22H15ClN2O/c23-15-10-12-17(13-11-15)25-21-14-20(24-16-6-2-1-3-7-16)18-8-4-5-9-19(18)22(21)26/h1-14,24H/b25-21-
InChIKeyWOLRQBPLYONJJI-DAFNUICNSA-N
XLogP5.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one?
The IUPAC name of 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one (CID 15103681) is 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one.
What is the SMILES notation for 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one?
The canonical SMILES for 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one is O=C1/C(=N\c2ccc(Cl)cc2)C=C(Nc2ccccc2)c2ccccc21.
What is the InChIKey of 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one?
The InChIKey is WOLRQBPLYONJJI-DAFNUICNSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-15-10-12-17(13-11-15)25-21-14-20(24-16-6-2-1-3-7-16)18-8-4-5-9-19(18)22(21)26/h1-14,24H/b25-21-.
What are the key properties of 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one?
4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one has a molecular weight of 358.83 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one is sourced from PubChem (CID 15103681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).