7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

C23H20FN3O — CID 2895199

IUPAC7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1cccc(NC(c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)n1
InChIInChI=1S/C23H20FN3O/c1-14-5-3-8-20(25-14)27-21(17-6-4-7-18(24)13-17)19-12-11-16-10-9-15(2)26-22(16)23(19)28/h3-13,21,28H,1-2H3,(H,25,27)
InChIKeyGVZQVZRICYOVPZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.29
Rot. Bonds4

About 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 2895199) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID2895199
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1cccc(NC(c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)n1
InChIInChI=1S/C23H20FN3O/c1-14-5-3-8-20(25-14)27-21(17-6-4-7-18(24)13-17)19-12-11-16-10-9-15(2)26-22(16)23(19)28/h3-13,21,28H,1-2H3,(H,25,27)
InChIKeyGVZQVZRICYOVPZ-UHFFFAOYSA-N
XLogP5.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 2895199) is 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is Cc1cccc(NC(c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)n1.
What is the InChIKey of 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is GVZQVZRICYOVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-14-5-3-8-20(25-14)27-21(17-6-4-7-18(24)13-17)19-12-11-16-10-9-15(2)26-22(16)23(19)28/h3-13,21,28H,1-2H3,(H,25,27).
What are the key properties of 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 373.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2895199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).