2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide

C25H18F2N2O4 — CID 2135407

IUPAC2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H18F2N2O4/c1-33-19-10-11-22-20(12-19)25(32)21(24(31)15-2-4-16(26)5-3-15)13-29(22)14-23(30)28-18-8-6-17(27)7-9-18/h2-13H,14H2,1H3,(H,28,30)
InChIKeyLLGXWVCSOAUKJF-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.16
Rot. Bonds6

About 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide

2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 2135407) has the molecular formula C25H18F2N2O4 and a molecular weight of 448.43 g/mol. Its IUPAC name is 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID2135407
Molecular FormulaC25H18F2N2O4
Molecular Weight448.43 g/mol
Exact Mass448.12
IUPAC Name2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H18F2N2O4/c1-33-19-10-11-22-20(12-19)25(32)21(24(31)15-2-4-16(26)5-3-15)13-29(22)14-23(30)28-18-8-6-17(27)7-9-18/h2-13H,14H2,1H3,(H,28,30)
InChIKeyLLGXWVCSOAUKJF-UHFFFAOYSA-N
XLogP4.16
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide 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 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide (CID 2135407) is 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide is COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is LLGXWVCSOAUKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O4/c1-33-19-10-11-22-20(12-19)25(32)21(24(31)15-2-4-16(26)5-3-15)13-29(22)14-23(30)28-18-8-6-17(27)7-9-18/h2-13H,14H2,1H3,(H,28,30).
What are the key properties of 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 448.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2135407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).