3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one

C26H25FN2O2 — CID 75527780

IUPAC3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one
SMILESCCc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C26H25FN2O2/c1-3-18-6-11-23(12-7-18)28-16-21-14-20-8-13-24(31-2)15-25(20)29(26(21)30)17-19-4-9-22(27)10-5-19/h4-15,28H,3,16-17H2,1-2H3
InChIKeyHGBULMRJQQHKLM-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.37
Rot. Bonds7

About 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one

3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one (PubChem CID 75527780) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one.

Molecular Properties

Compound Name3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one
PubChem CID75527780
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC Name3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one
SMILESCCc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C26H25FN2O2/c1-3-18-6-11-23(12-7-18)28-16-21-14-20-8-13-24(31-2)15-25(20)29(26(21)30)17-19-4-9-22(27)10-5-19/h4-15,28H,3,16-17H2,1-2H3
InChIKeyHGBULMRJQQHKLM-UHFFFAOYSA-N
XLogP5.37
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-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 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one?
The IUPAC name of 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one (CID 75527780) is 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one.
What is the SMILES notation for 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one?
The canonical SMILES for 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one is CCc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one?
The InChIKey is HGBULMRJQQHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-3-18-6-11-23(12-7-18)28-16-21-14-20-8-13-24(31-2)15-25(20)29(26(21)30)17-19-4-9-22(27)10-5-19/h4-15,28H,3,16-17H2,1-2H3.
What are the key properties of 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one?
3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one has a molecular weight of 416.50 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one is sourced from PubChem (CID 75527780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).