3-[anilino(phenyl)methyl]acridin-4-ol

C26H20N2O — CID 127042061

IUPAC3-[anilino(phenyl)methyl]acridin-4-ol
SMILESOc1c(C(Nc2ccccc2)c2ccccc2)ccc2cc3ccccc3nc12
InChIInChI=1S/C26H20N2O/c29-26-22(16-15-20-17-19-11-7-8-14-23(19)28-25(20)26)24(18-9-3-1-4-10-18)27-21-12-5-2-6-13-21/h1-17,24,27,29H
InChIKeyQLMFMTVYQKSVHQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.30
Rot. Bonds4

About 3-[anilino(phenyl)methyl]acridin-4-ol

3-[anilino(phenyl)methyl]acridin-4-ol (PubChem CID 127042061) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[anilino(phenyl)methyl]acridin-4-ol.

Molecular Properties

Compound Name3-[anilino(phenyl)methyl]acridin-4-ol
PubChem CID127042061
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name3-[anilino(phenyl)methyl]acridin-4-ol
SMILESOc1c(C(Nc2ccccc2)c2ccccc2)ccc2cc3ccccc3nc12
InChIInChI=1S/C26H20N2O/c29-26-22(16-15-20-17-19-11-7-8-14-23(19)28-25(20)26)24(18-9-3-1-4-10-18)27-21-12-5-2-6-13-21/h1-17,24,27,29H
InChIKeyQLMFMTVYQKSVHQ-UHFFFAOYSA-N
XLogP6.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[anilino(phenyl)methyl]acridin-4-ol 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

7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide
CID 21139459
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
CID 10509772
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233040
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide
CID 146474860
3-methylacridin-4-ol
CID 89346727
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
4-propan-2-ylacridine
CID 87209750
2-ethoxyethyl 3-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233096
4-[[(4-bromophenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoic acid
CID 127041093
2-anilinoacridin-4-ol
CID 165155803

Frequently Asked Questions

What is the IUPAC name of 3-[anilino(phenyl)methyl]acridin-4-ol?
The IUPAC name of 3-[anilino(phenyl)methyl]acridin-4-ol (CID 127042061) is 3-[anilino(phenyl)methyl]acridin-4-ol.
What is the SMILES notation for 3-[anilino(phenyl)methyl]acridin-4-ol?
The canonical SMILES for 3-[anilino(phenyl)methyl]acridin-4-ol is Oc1c(C(Nc2ccccc2)c2ccccc2)ccc2cc3ccccc3nc12.
What is the InChIKey of 3-[anilino(phenyl)methyl]acridin-4-ol?
The InChIKey is QLMFMTVYQKSVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c29-26-22(16-15-20-17-19-11-7-8-14-23(19)28-25(20)26)24(18-9-3-1-4-10-18)27-21-12-5-2-6-13-21/h1-17,24,27,29H.
What are the key properties of 3-[anilino(phenyl)methyl]acridin-4-ol?
3-[anilino(phenyl)methyl]acridin-4-ol has a molecular weight of 376.46 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[anilino(phenyl)methyl]acridin-4-ol is sourced from PubChem (CID 127042061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).