7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C22H18FN3O — CID 2895610

IUPAC7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1cccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)n1
InChIInChI=1S/C22H18FN3O/c1-14-4-2-6-19(25-14)26-20(16-7-10-17(23)11-8-16)18-12-9-15-5-3-13-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26)
InChIKeyQFWYBZBGLVKJGT-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.98
Rot. Bonds4

About 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 2895610) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID2895610
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1cccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)n1
InChIInChI=1S/C22H18FN3O/c1-14-4-2-6-19(25-14)26-20(16-7-10-17(23)11-8-16)18-12-9-15-5-3-13-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26)
InChIKeyQFWYBZBGLVKJGT-UHFFFAOYSA-N
XLogP4.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol 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 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 2895610) is 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1cccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)n1.
What is the InChIKey of 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is QFWYBZBGLVKJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-14-4-2-6-19(25-14)26-20(16-7-10-17(23)11-8-16)18-12-9-15-5-3-13-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26).
What are the key properties of 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 359.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 2895610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).