3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide

C23H16F2N2O2 — CID 53113478

IUPAC3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C23H16F2N2O2/c1-29-22-13-21(14-5-7-16(24)8-6-14)27-20-10-9-18(12-19(20)22)26-23(28)15-3-2-4-17(25)11-15/h2-13H,1H3,(H,26,28)
InChIKeyUTZGAUVMLLGARB-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.44
Rot. Bonds4

About 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide

3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide (PubChem CID 53113478) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
PubChem CID53113478
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC Name3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C23H16F2N2O2/c1-29-22-13-21(14-5-7-16(24)8-6-14)27-20-10-9-18(12-19(20)22)26-23(28)15-3-2-4-17(25)11-15/h2-13H,1H3,(H,26,28)
InChIKeyUTZGAUVMLLGARB-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide 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

N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide
CID 50836629
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
CID 53113425
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide (CID 53113478) is 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide is COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3cccc(F)c3)cc12.
What is the InChIKey of 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide?
The InChIKey is UTZGAUVMLLGARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c1-29-22-13-21(14-5-7-16(24)8-6-14)27-20-10-9-18(12-19(20)22)26-23(28)15-3-2-4-17(25)11-15/h2-13H,1H3,(H,26,28).
What are the key properties of 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide?
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide has a molecular weight of 390.39 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide is sourced from PubChem (CID 53113478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).