4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one

C23H18N2O2 — CID 134937938

IUPAC4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one
SMILESCc1ccc(/N=C2/C=C(Nc3ccccc3)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C23H18N2O2/c1-15-11-12-19(22(26)13-15)25-21-14-20(24-16-7-3-2-4-8-16)17-9-5-6-10-18(17)23(21)27/h2-14,24,26H,1H3/b25-21-
InChIKeyXUOLHKCSHJVLCE-DAFNUICNSA-N
MW354.41 g/mol
LogP5.12
Rot. Bonds3

About 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one

4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one (PubChem CID 134937938) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one.

Molecular Properties

Compound Name4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one
PubChem CID134937938
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one
SMILESCc1ccc(/N=C2/C=C(Nc3ccccc3)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C23H18N2O2/c1-15-11-12-19(22(26)13-15)25-21-14-20(24-16-7-3-2-4-8-16)17-9-5-6-10-18(17)23(21)27/h2-14,24,26H,1H3/b25-21-
InChIKeyXUOLHKCSHJVLCE-DAFNUICNSA-N
XLogP5.12
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one?
The IUPAC name of 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one (CID 134937938) is 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one.
What is the SMILES notation for 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one?
The canonical SMILES for 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one is Cc1ccc(/N=C2/C=C(Nc3ccccc3)c3ccccc3C2=O)c(O)c1.
What is the InChIKey of 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one?
The InChIKey is XUOLHKCSHJVLCE-DAFNUICNSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-15-11-12-19(22(26)13-15)25-21-14-20(24-16-7-3-2-4-8-16)17-9-5-6-10-18(17)23(21)27/h2-14,24,26H,1H3/b25-21-.
What are the key properties of 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one?
4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one has a molecular weight of 354.41 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(2-hydroxy-4-methylphenyl)iminonaphthalen-1-one is sourced from PubChem (CID 134937938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).